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 Panel nonpolar repeated\B MN_REP1.FIN EXBLK5S-N1006 Contamination 6.3742 1048.4 2.2 scans 62% 207 m/z 2.3% 0.0274% 27 1.2 107 41924 308157 294242 0-1 14: 207 73 295 208 209 71 191 296 74 297 85 81 129 279 0.933 6.63 -14.9 91 90 73 92 295 30.9 8.264 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1192 Contamination 7.9556 1142.2 2.6 scans 98% 73 m/z 0.11% 0.998% 178 0.8 555 846942 11213453 11174044 2-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 75 160 103 100 149 131 134 236 0.997 7.99 -2.0 99 98 98 99 235 108.4 3.813 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1026 Cadaverine NC 8.1293 1152.5 2.4 scans 75% 174 m/z 4.2% 0.0152% 194 1.0 74 23258 171033 151540 1-1 13: 174 175 73 216 113 142 86 59 100 160 56 176 130 1.000 7.74 23.3 89 88 75 93 216 18.0 5.887 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1188 Contamination 8.3155 1163.5 2.8 scans 66% 281 m/z 8.2% 0.0155% 212 1.9 67 12189 174684 174684 0-0 9: 281 369 282 283 370 148 207 179 265 0.996 8.41 -5.9 89 89 62 91 369 18.7 7.806 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1186 Phosphate 8.4860 1173.6 2.1 scans 95% 241 m/z 0.32% 0.160% 228 1.1 254 311322 1797559 1749521 1-1 20: 241 242 133 73 211 163 243 256 135 195 98 59 89 134 119 147 137 121 181 212 1.000 8.56 -4.4 100 99 98 99 299 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1180 Benzoic acid 9.6528 1242.2 3.2 scans 84% TIC 2.8% 0.0404% 339 0.6 100 35678 0.0977% 454824 446109 1097359 1-0 0.957 9.76 -6.3 96 95 86 96 194 15.6 2.401 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN VEN77_S6-N1002 Glycerol 10.0179 1263.6 4.1 scans 95% 299 m/z 0.023% 4.56% 374 0.5 1000 4203824 51324342 51324342 0-0 20: 299 73 300 314 301 133 207 283 315 211 193 191 135 74 316 302 75 59 225 131 0.983 10.09 -4.4 99 97 92 99 299 575.7 33.236 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LACTIC~1-N1034 Glycerol 10.0274 1264.2 4.0 scans 11% 205 m/z (299) 0.42% 0.355% 375 0.4 275 232580 3994067 3848497 1-1 17: 205 117 218 206 204 129 101 219 217 203 175 293 220 130 294 52 157 0.629 10.11 -4.8 90 97 60 94 293 22.8 0.689 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1174 Proline 10.4199 1287.1 >3 scans 74% TIC 2.0% 0.0198% 412 1.9 78 48527 0.250% 223187 223187 2807981 0-0 1.000 10.55 -7.3 92 93 88 93 142 61.9 62.546 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6556 1300.9 3.4 scans 79% TIC 1.3% 0.147% 434 1.2 192 74117 0.253% 1654385 1649299 2841677 4-0 0.869 10.73 -4.7 98 96 95 99 209 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1168 Glyceric acid 10.9386 1318.0 2.5 scans 88% TIC 2.4% 0.0363% 461 1.0 115 40079 0.138% 408143 408143 1550006 0-0 1.000 11.05 -6.9 95 95 91 95 292 33.1 8.291 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9860 1320.8 2.7 scans 83% TIC 3.3% 0.0466% 466 0.9 110 30009 0.130% 524141 370674 1460150 0-6 0.997 11.06 -4.7 97 96 90 96 285 33.4 9.271 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3669 1343.8 3.5 scans 16% 57 m/z 0.44% 0.224% 502 0.8 236 224699 2525201 2276358 3-1 20: 57 97 115 145 127 69 129 59 111 58 109 128 72 98 71 87 114 113 201 96 0.348 11.45 -4.7 94 98 88 98 145 70.3 8.907 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3795 1344.5 3.0 scans 89% TIC 0.050% 1.59% 503 0.8 659 1999172 1.64% 17887884 16136972 18420356 4-2 0.925 10.96 25.5 97 97 97 99 161 164.5 6.222 0.423 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN TAB_REP6-N1026 Malic acid 13.4523 1472.5 2.4 scans 95% 73 m/z (158) 0.12% 0.631% 700 1.0 473 784085 7096985 6903035 1-1 20: 73 147 233 245 133 75 148 74 189 190 55 191 175 101 149 335 234 59 217 131 0.999 13.53 -5.1 97 98 98 98 335 54.6 1.335 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1146 Malic acid 13.4523 1472.5 2.4 scans 97% 73 m/z 0.12% 0.635% 700 1.0 477 779414 7132383 6937466 1-1 20: 73 147 233 245 133 75 148 74 189 190 55 191 175 101 149 335 234 59 217 131 1.000 13.62 -10.3 99 98 97 98 350 10.6 0.049 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2593 1524.6 2.6 scans 64% 263 m/z 1.4% 0.0348% 777 1.0 107 68334 391776 391776 1-0 8: 263 264 278 265 279 239 91 207 0.980 14.33 -4.4 93 92 83 96 278 28.6 7.166 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5613 1544.6 2.5 scans 74% 73 m/z 3.3% 0.0287% 805 1.1 98 29963 322560 294193 2-1 18: 73 147 292 220 205 293 217 103 74 117 133 148 221 294 206 102 149 207 1.000 14.62 -4.0 90 90 86 90 409 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6550 1550.8 2.8 scans 94% 174 m/z 0.45% 0.161% 814 1.1 219 221420 0.164% 1811454 1811454 1842036 0-0 20: 174 73 175 86 176 250 100 59 91 74 130 251 162 87 131 121 177 101 65 58 1.000 14.16 32.5 93 93 91 98 250 40.3 3.379 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1044 Dodecanol 14.7139 1554.7 2.5 scans 69% 243 m/z 2.6% 0.0254% 820 0.9 95 37233 0.0282% 285360 277781 316740 1-1 11: 243 75 244 103 89 83 97 61 245 111 101 0.934 14.24 31.3 93 96 80 96 243 54.2 32.579 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1786 1654.3 2.7 scans 83% 290 m/z 1.5% 0.0425% 959 1.9 110 65340 0.0540% 477636 457812 606524 2-0 13: 290 73 291 292 158 392 74 144 131 147 59 115 133 0.973 16.28 -6.8 96 95 86 97 392 16.5 2.264 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5258 1678.4 2.7 scans 72% TIC 5.1% 0.0163% 992 1.4 82 19468 0.0505% 184000 184000 567212 0-0 1.000 16.63 -7.0 83 83 85 83 210 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1010 Glycerol-P 17.4538 1745.0 2.6 scans 95% 357 m/z 0.16% 1.21% 1080 0.9 625 618089 13686524 13327764 1-1 20: 357 73 299 147 358 315 300 445 370 211 101 103 359 133 301 129 256 387 75 131 0.996 16.97 35.5 97 99 99 99 445 93.8 2.247 0.486 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4092 1815.4 4.0 scans 96% 73 m/z 0.031% 8.95% 1171 0.5 1377 3128232 100551738 97767457 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 133 66 118 58 213 90 77 121 0.994 17.91 37.2 96 99 98 100 327 128.7 0.874 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1012 Phytol 18.5344 1825.0 2.8 scans 98% 68 m/z 0.17% 1.47% 1183 0.9 680 575567 16604185 16587648 0-1 20: 68 95 82 57 55 69 123 67 81 83 71 97 96 109 124 111 56 79 70 53 1.000 18.04 36.9 95 98 99 99 278 37.1 0.298 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1016 Hexadecene 18.6060 1830.4 3.4 scans 86% TIC 1.4% 0.155% 1190 1.6 191 70632 9.51% 1748032 1653117 106815601 0-1 0.999 18.10 38.0 83 83 92 97 280 25.1 1.727 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6354 1832.7 2.6 scans 71% 285 m/z 4.3% 0.0376% 1193 0.9 106 23068 1.27% 422331 408933 14264544 5-0 14: 285 117 132 129 145 286 131 118 74 61 201 133 130 287 1.000 18.73 -7.0 93 93 79 93 300 9.9 0.880 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1076 Pregnane?? 18.7638 1842.5 2.6 scans 89% 345 m/z 1.1% 0.0956% 1205 0.9 179 84579 1074507 1039310 1-0 20: 345 73 255 147 346 347 204 191 334 74 133 256 148 435 257 217 215 419 149 372 0.997 18.86 -7.2 93 92 87 92 537 10.8 0.364 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1002 Phytol 18.8min 18.8364 1848.0 2.7 scans 93% 81 m/z 1.2% 0.233% 1212 1.0 270 81764 2619377 2429902 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 109 124 53 110 56 278 1.000 18.84 -0.3 95 95 98 95 278 28.8 1.137 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9353 1855.6 2.7 scans 83% TIC 1.6% 0.0606% 1221 1.2 141 59566 0.346% 681053 616103 3886246 1-3 0.993 18.40 40.6 88 92 90 94 364 12.6 0.800 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1018 Fructose 19.0532 1864.5 2.8 scans 53% 73 m/z 2.0% 0.0545% 1232 1.3 122 47665 0.154% 612406 550555 1729716 4-5 20: 73 103 217 307 147 308 277 218 133 74 309 89 104 219 148 117 262 191 364 149 0.975 18.52 40.2 90 95 92 95 364 11.2 0.849 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0795 1866.5 2.9 scans 95% TIC 0.58% 0.539% 1235 0.8 389 170278 6054466 5730085 1-1 1.000 18.58 38.1 94 98 99 99 278 49.2 1.599 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1068 Galactopyranose 19.2068 1876.3 2.7 scans 82% 204 m/z 1.4% 0.0559% 1247 1.2 136 69524 0.195% 628321 603628 2190225 1-0 20: 204 73 191 205 147 217 206 192 129 218 103 133 74 189 193 219 148 131 117 149 0.994 19.32 -8.2 86 86 87 86 435 0.0 0.000 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BRA4_R~2-N1004 Galactose 19.2573 1880.1 2.6 scans 90% 73 m/z 0.49% 0.244% 1252 1.1 282 202591 0.271% 2742939 2742939 3043852 0-0 20: 73 319 205 147 160 320 217 103 321 206 74 117 133 148 189 229 157 161 129 207 0.989 19.36 -8.0 96 94 93 97 364 17.3 0.376 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2684 1960.3 2.5 scans 83% 204 m/z 0.89% 0.0964% 1348 1.0 179 111708 1083313 1022565 2-3 19: 204 73 191 217 147 205 206 192 218 129 74 103 133 189 193 148 219 117 59 0.995 20.41 -11.7 90 89 90 89 217 40.4 5.108 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7682 2000.5 3.0 scans 87% TIC 1.5% 0.205% 1395 1.4 236 64963 0.217% 2308007 2175047 2437328 1-2 0.954 20.27 40.3 91 95 94 99 322 14.1 0.358 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1038 C16:0 21.1260 2030.6 3.0 scans 98% 313 m/z 0.072% 3.06% 1429 0.7 928 1379193 34428098 33987501 0-1 20: 313 117 73 75 132 129 145 314 55 131 57 328 118 133 69 74 315 201 116 269 1.000 20.62 42.3 95 99 99 100 328 98.9 1.136 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6521 2074.8 2.7 scans 86% 73 m/z (79) 1.0% 0.174% 1479 1.0 228 96392 1956403 1914554 3-0 20: 73 217 305 147 318 191 306 319 265 204 218 307 133 432 367 320 148 129 291 433 0.987 21.75 -8.1 93 94 92 94 507 14.1 0.380 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9457 2099.5 2.8 scans 71% 327 m/z 3.9% 0.0513% 1507 1.1 124 25005 0.0599% 577207 528557 672792 7-2 16: 327 117 132 129 145 328 342 118 131 133 74 201 116 76 329 61 0.984 22.33 -33.5 92 95 90 95 342 15.0 1.477 -0.384 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1624 2118.4 2.4 scans 29% 396 m/z 14% 0.00595% 1528 1.0 46 6704 66877 66877 0-0 4: 396 219 397 381 0.872 22.19 -2.1 83 85 65 85 396 23.0 25.101 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1040 Phytol 22.6022 2156.8 2.8 scans 91% 143 m/z 0.20% 0.339% 1570 1.0 321 489815 3817316 3659023 4-1 17: 143 73 75 144 123 81 55 145 124 95 82 103 97 67 68 96 83 1.000 22.08 45.3 83 85 92 96 181 0.0 0.000 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1042 C18:2 23.0221 2193.5 5.4 scans 86% 73 m/z (147) 0.30% 1.53% 1610 0.8 486 325671 4.94% 17225667 16237018 55485706 5-0 14: 73 74 143 229 192 218 205 170 209 144 140 63 189 141 0.990 22.53 42.7 90 97 97 98 352 26.0 0.287 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1188 2202.0 3.0 scans 97% 75 m/z 0.084% 4.37% 1619 0.6 1110 1184027 5.47% 49098158 48796515 61438626 1-0 20: 75 73 79 95 67 93 108 129 55 81 117 80 335 91 107 94 77 121 145 135 1.000 23.12 0.2 96 94 99 95 350 67.9 0.374 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1036 C18:0 23.3872 2226.5 2.7 scans 95% 117 m/z 0.20% 0.988% 1644 1.1 559 483885 11099986 10867712 1-1 20: 117 341 73 75 132 129 145 342 55 57 356 133 69 118 131 74 343 201 116 83 1.000 22.89 44.7 94 99 99 99 356 66.5 1.416 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1018 myo-Inositol 25.2106 2396.9 3.1 scans 77% TIC 1.1% 0.171% 1818 0.9 212 85309 0.328% 1921001 1776433 3684071 0-12 0.979 25.21 0.1 96 95 91 96 470 14.0 0.433 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6073 2436.1 3.3 scans 81% 91 m/z 0.31% 0.246% 1855 1.3 248 314293 2773245 2510757 1-4 20: 91 117 194 207 92 115 65 208 193 77 103 104 312 118 78 51 128 195 179 116 0.979 25.61 -0.2 99 98 98 99 312 27.7 1.249 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5501 2530.7 2.9 scans 64% 73 m/z (218) 1.2% 0.133% 1945 1.5 180 79687 0.163% 1497037 1270894 1830804 13-2 20: 73 512 455 247 513 456 57 483 514 248 263 349 457 219 497 423 74 175 189 484 0.956 26.57 -2.4 94 96 87 95 512 56.6 9.887 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9204 2568.9 2.7 scans 96% 371 m/z 0.070% 1.78% 1980 0.9 767 1415253 20002066 19981547 0-1 20: 371 73 372 147 57 129 205 203 55 103 239 71 373 459 116 75 145 101 117 85 1.000 26.39 54.3 91 98 98 100 459 90.8 1.404 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1008 Sucrose 27.4171 2620.9 2.9 scans 80% 361 m/z 0.56% 0.279% 2027 1.0 290 176003 3144542 3049330 1-1 20: 361 73 217 362 147 363 437 103 271 129 218 169 243 319 451 438 191 74 219 439 0.938 27.59 -18.6 97 96 91 97 437 48.4 2.792 -0.174 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN LQC1-N1010 Sucrose 27.4181 2621.0 3.0 scans 81% TIC 0.58% 0.282% 2027 1.1 293 172085 3168208 3069643 0-1 0.966 27.58 -17.2 97 95 93 97 437 48.0 2.683 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9084 2673.4 2.8 scans 92% 73 m/z 0.25% 1.13% 2074 1.0 605 399850 3.27% 12751494 11811845 36728393 1-0 20: 73 161 109 57 205 160 145 214 147 287 286 75 201 127 83 186 172 129 103 55 1.000 27.91 -0.0 100 100 100 100 662 25.1 0.172 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0337 2686.7 3.0 scans 75% 73 m/z 0.95% 0.228% 2086 1.1 297 105106 2.67% 2567387 2567387 29989238 0-0 20: 73 161 109 57 287 205 145 201 160 147 517 127 182 245 83 71 55 75 162 172 0.993 28.03 0.0 100 100 100 100 574 23.9 0.643 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6744 2758.1 2.7 scans 93% TIC 0.31% 1.28% 2147 1.1 628 318562 2.37% 14459330 14450827 26619661 1-0 0.999 28.67 0.8 92 90 92 94 457 95.0 2.286 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7208 2763.3 2.9 scans 89% TIC 0.12% 1.08% 2151 1.0 579 787757 2.28% 12189203 11354915 25608788 0-1 1.000 28.19 59.4 90 98 98 99 487 69.5 1.439 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1034 Nonacosane 29.5004 2851.0 2.8 scans 71% 57 m/z 0.88% 0.120% 2225 1.2 201 112855 1357039 1276028 2-2 20: 57 71 85 55 99 56 69 365 83 97 70 113 127 58 84 86 364 111 393 141 0.994 29.50 -0.5 96 95 97 95 408 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8245 2887.5 3.2 scans 76% TIC 0.61% 0.179% 2256 0.6 239 162367 0.285% 2019133 2012309 3201098 1-0 0.991 29.83 -0.2 96 96 99 96 408 14.2 0.353 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1042 C20:0-2-glycerol 30.3874 2953.6 2.8 scans 86% 189 m/z 0.27% 1.39% 2310 0.9 627 363064 1.96% 15636380 14492260 22014572 1-1 20: 189 129 369 117 145 188 103 57 485 75 55 370 131 385 69 71 83 190 97 98 0.992 30.38 0.7 94 90 79 100 485 95.6 2.327 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4106 2956.4 3.3 scans 63% 193 m/z (189) 0.79% 0.319% 2312 0.9 279 126238 3593588 3455229 1-3 17: 193 105 119 163 120 205 176 194 206 247 106 515 164 307 92 230 177 0.950 30.36 6.3 81 84 86 85 529 6.8 0.059 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4642 2962.7 2.8 scans 91% TIC 0.16% 0.719% 2317 1.1 470 604962 2.28% 8076669 7248456 25608788 0-2 1.000 30.46 0.1 100 99 100 100 393 99.2 4.461 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2071 3051.0 3.0 scans 91% 57 m/z 0.13% 1.08% 2387 0.9 543 760377 1.20% 12131646 11333129 13478309 2-2 20: 57 71 85 55 99 69 56 83 97 393 70 113 127 111 84 141 155 58 421 98 0.997 31.21 -0.5 100 99 100 100 393 76.1 1.962 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1048 Hentriacontane 31.5112 3087.1 3.0 scans 89% 57 m/z 0.13% 1.03% 2416 0.9 540 765679 11615105 10935902 1-3 20: 57 71 85 55 99 69 83 97 56 70 113 127 84 111 98 141 58 112 72 126 0.996 31.53 -2.4 99 98 99 99 436 28.6 0.280 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8037 3121.8 2.9 scans 80% 502 m/z 0.28% 0.413% 2444 1.0 358 352775 4640922 4207711 1-1 18: 502 237 73 503 236 238 504 57 277 221 55 71 223 74 239 208 505 235 0.994 31.79 1.4 100 99 97 99 502 166.8 21.674 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9289 3136.7 2.9 scans 75% 129 m/z 1.3% 0.272% 2456 0.9 293 72251 0.292% 3059579 2960812 3279722 1-2 18: 129 329 368 353 458 95 75 107 119 330 121 81 328 105 55 369 145 91 0.994 31.87 7.3 94 93 93 94 458 39.8 1.842 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1067 3157.8 2.8 scans 87% 57 m/z 0.14% 0.861% 2473 1.0 512 694946 9677797 9426190 1-2 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 111 127 84 58 141 72 0.996 32.11 -0.4 99 98 99 99 421 107.8 4.423 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1004 Campesterol 32.7696 3236.5 3.6 scans 66% 129 m/z 0.60% 0.712% 2536 0.8 416 164159 0.739% 8006986 7525433 8300392 0-2 19: 129 343 382 472 367 75 95 119 107 121 145 105 81 344 383 342 93 159 91 0.985 32.21 66.4 84 95 84 96 472 61.9 2.212 0.560 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1046 Stigmasterol 32.9685 3260.1 3.0 scans 89% 83 m/z 0.27% 1.50% 2555 0.8 653 363116 1.72% 16857536 15491286 19318910 1-5 20: 83 129 55 69 73 255 81 394 484 75 159 133 119 105 95 145 107 93 97 91 0.997 32.98 -1.7 94 91 97 97 665 15.5 0.056 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0853 3274.0 2.9 scans 83% 57 m/z 0.18% 0.709% 2566 1.1 454 538889 7969372 7615509 0-8 20: 57 71 85 55 99 69 83 97 56 70 113 127 111 84 141 98 112 58 72 126 0.992 33.10 -1.4 91 89 98 92 515 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN WTF2-N1034 b-Sitosterol 33.4567 3318.1 3.3 scans 83% 129 m/z 0.73% 0.597% 2601 0.9 403 135762 6711542 6500569 1-1 19: 129 357 396 486 381 95 57 75 119 121 81 107 55 145 397 358 105 356 159 0.998 32.88 68.8 86 98 98 98 486 53.5 1.760 0.580 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5714 3331.8 >4 scans 78% 73 m/z 0.74% 0.518% 2612 1.0 378 134746 2.77% 5818252 5681814 31112431 1-0 20: 73 271 505 361 491 169 109 103 129 506 223 362 492 272 289 201 257 75 127 217 0.997 33.57 -0.0 100 100 100 100 505 76.0 4.045 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6250 3338.1 4.9 scans 59% TIC 0.66% 0.331% 2617 1.2 364 149768 1.68% 3722987 3722987 18869633 0-0 0.993 33.63 0.0 100 100 100 100 505 92.9 6.519 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6934 3346.2 3.6 scans 71% 505 m/z 0.65% 0.499% 2624 1.1 399 153342 2.04% 5610953 5610953 22913126 0-0 20: 505 73 271 361 491 109 169 57 103 506 223 492 289 362 272 201 71 127 83 243 0.988 33.69 0.0 100 100 100 100 505 91.0 5.197 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8807 3368.5 3.2 scans 13% 441 m/z 4.0% 0.0176% 2641 1.1 68 24830 198126 198126 0-1 6: 441 442 308 646 443 237 0.970 33.80 10.1 86 87 70 87 646 11.7 2.981 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4479 3435.8 4.2 scans 92% 271 m/z 0.19% 2.85% 2695 0.8 767 525557 8.05% 32062934 31344262 90416991 1-0 20: 271 73 331 505 109 361 241 169 223 103 127 506 217 272 475 201 332 243 289 199 0.999 34.59 -16.8 100 99 99 100 596 0.0 0.000 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5226 3444.7 4.7 scans 82% 143 m/z (596) 0.18% 3.20% 2702 0.6 809 532286 9.85% 35988377 35988377 110634455 0-0 20: 143 244 245 260 403 288 82 151 125 220 285 192 216 346 153 76 163 84 126 404 1.000 34.52 0.5 99 100 100 100 505 177.9 4.836 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5689 3450.2 3.5 scans 3.8% 596 m/z 1.8% 0.0384% 2707 1.0 94 53204 432194 389116 3-1 5: 596 597 598 316 599 0.937 34.47 11.5 93 94 64 94 596 64.8 47.432 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN EXBLK5S-N1006 Contamination 6.3740 1048.4 2.1 scans 72% 207 m/z 0.83% 0.0402% 27 1.2 164 119874 0.0418% 836361 821156 868145 0-2 18: 207 295 208 209 296 191 297 71 279 193 189 210 85 177 192 247 298 263 0.889 6.63 -14.9 97 96 87 97 295 48.4 8.710 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8429 1135.5 8.0 scans 49% 147 m/z 5.1% 0.00659% 167 1.4 62 19300 0.261% 137005 137005 5420713 0-0 7: 147 73 148 74 149 72 66 0.919 7.79 2.9 83 83 79 90 219 0.0 0.000 0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1192 Contamination 8.0081 1145.3 2.4 scans 97% TIC 0.11% 0.558% 183 1.0 549 898934 11608543 11057104 6-1 0.999 7.99 1.1 98 97 97 98 235 111.1 4.092 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1026 Cadaverine NC 8.1301 1152.5 2.3 scans 76% 174 m/z 2.0% 0.0157% 194 1.1 96 49528 327525 307074 3-1 13: 174 73 175 142 216 86 176 59 100 160 130 161 217 0.981 7.74 23.3 93 92 87 95 216 23.1 5.778 0.394 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1188 Contamination 8.3143 1163.4 2.3 scans 74% 281 m/z 2.5% 0.0208% 212 1.0 113 39038 432190 413119 1-1 16: 281 147 369 282 283 370 265 148 207 371 249 149 191 251 284 266 0.963 8.41 -6.0 96 95 74 98 369 32.3 8.116 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1186 Phosphate 8.5268 1176.0 2.1 scans 95% 241 m/z 0.26% 0.102% 232 1.1 262 380454 2128805 2095866 1-0 19: 241 242 133 211 256 163 243 73 135 195 98 59 89 137 121 119 257 212 115 0.998 8.56 -2.0 100 99 98 99 299 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1180 Benzoic acid 9.6948 1244.7 2.6 scans 70% 179 m/z 6.2% 0.00617% 343 1.3 58 16120 0.00820% 128259 125903 170306 0-1 7: 179 105 135 77 180 194 51 0.992 9.76 -3.8 95 95 85 95 194 9.4 2.595 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN VEN77_S6-N1002 Glycerol 10.0483 1265.4 4.3 scans 88% 299 m/z 0.019% 3.02% 377 0.4 1000 5149344 62819942 59782383 1-1 20: 299 73 300 314 133 283 207 193 191 135 74 75 59 225 131 284 115 134 119 208 0.959 10.09 -2.6 100 99 98 99 299 600.0 36.185 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LACTIC~1-N1034 Glycerol 10.0546 1265.7 2.4 scans 8.7% 147 m/z (299) 0.27% 0.220% 377 0.6 314 358494 4584591 4276004 3-1 20: 147 205 103 117 218 148 206 149 204 129 101 219 203 118 104 116 217 175 220 293 0.666 10.11 -3.3 88 95 58 93 293 22.9 0.533 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6817 1302.5 3.1 scans 76% TIC 1.0% 0.0951% 437 0.8 205 91124 1975899 1768241 1-1 0.859 10.73 -3.1 95 93 93 99 209 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1168 Glyceric acid 10.9585 1319.2 2.4 scans 86% TIC 2.1% 0.0257% 463 1.2 123 46319 0.122% 534492 534492 2533820 0-0 0.990 11.05 -5.7 94 94 88 94 292 34.9 7.979 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0132 1322.5 2.5 scans 86% 184 m/z 1.4% 0.0486% 468 1.0 165 68004 0.0562% 1010633 961201 1167219 0-1 19: 184 134 285 73 174 77 86 100 59 135 227 286 185 172 130 175 186 110 69 1.000 11.06 -3.0 98 96 92 98 285 47.7 8.343 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3920 1345.3 2.9 scans 24% 57 m/z (84) 0.40% 0.147% 504 0.8 242 245400 0.151% 3071074 2748423 3136121 5-3 20: 57 97 115 145 127 69 129 111 109 59 128 72 58 71 98 201 87 113 114 96 0.956 11.45 -3.2 96 99 96 99 145 71.7 8.741 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4098 1346.3 3.1 scans 91% TIC 0.037% 1.21% 506 0.7 725 2685924 25144799 22378119 3-5 0.976 10.96 27.3 95 95 95 99 161 186.2 6.598 0.454 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN TAB_REP6-N1026 Malic acid 13.4616 1473.1 2.4 scans 96% 73 m/z 0.14% 0.324% 701 1.0 437 695394 6737767 6630540 1-0 20: 73 147 233 245 133 189 148 190 75 74 175 191 101 55 149 335 234 59 217 117 0.998 13.53 -4.5 100 99 98 99 335 52.1 1.417 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9562 1504.5 2.9 scans 45% 156 m/z 5.0% 0.00549% 748 1.0 53 19908 114025 114025 1-0 4: 156 157 230 258 1.000 14.11 -10.2 91 91 83 91 273 0.0 0.000 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2718 1525.4 2.6 scans 63% 263 m/z 0.98% 0.0325% 778 1.0 135 101705 676841 662505 0-1 11: 263 264 278 447 265 279 448 175 449 335 207 0.989 14.33 -3.6 81 74 80 94 278 33.1 5.987 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5685 1545.1 2.6 scans 66% 73 m/z 2.3% 0.0231% 806 0.8 112 42680 0.0243% 481049 445036 504687 1-1 20: 73 292 147 220 205 217 293 103 117 148 221 294 74 133 149 130 102 319 206 131 0.972 14.69 -8.1 88 87 85 88 409 0.0 0.000 -0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6706 1551.8 2.8 scans 93% TIC 0.32% 0.114% 816 1.2 243 309498 0.201% 2383680 2261627 4174572 4-0 0.999 14.16 33.5 91 91 89 98 250 44.9 3.407 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1044 Dodecanol 14.7232 1555.3 >3 scans 80% TIC 2.0% 0.0241% 821 1.0 114 48045 0.196% 501806 492320 4070727 0-1 1.000 14.24 31.9 93 95 90 97 243 58.0 25.835 0.481 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1879 1654.9 2.9 scans 75% TIC 1.2% 0.0246% 960 1.9 118 82513 0.0736% 511965 511965 1528600 0-0 0.961 16.28 -6.2 96 94 88 98 392 16.9 2.040 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5372 1679.2 3.0 scans 69% TIC 3.3% 0.0138% 993 1.2 99 30075 0.0703% 287735 287735 1460062 0-0 0.995 16.63 -6.2 90 90 92 90 210 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1010 Glycerol-P 17.4610 1745.5 2.5 scans 94% 357 m/z 0.14% 0.709% 1081 1.0 632 675023 14727242 13905944 1-1 20: 357 299 73 358 147 315 300 445 370 211 103 101 359 133 301 256 387 129 218 131 0.994 16.97 36.0 96 99 99 100 445 97.5 2.377 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4206 1816.3 4.1 scans 96% TIC 0.030% 5.19% 1172 0.5 1310 3292087 107892798 104636800 1-1 0.994 17.91 38.1 96 99 98 100 327 124.7 0.907 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1012 Phytol 18.5459 1825.8 2.8 scans 97% 68 m/z 0.16% 0.910% 1184 0.9 666 608020 0.989% 18908464 18327906 20540557 1-2 20: 68 95 82 57 55 69 123 81 67 83 97 71 96 109 124 111 56 79 53 70 1.000 18.04 37.7 95 99 99 99 278 38.1 0.327 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6458 1833.5 2.6 scans 61% 285 m/z 3.2% 0.0231% 1194 1.0 111 30381 480812 480547 1-0 12: 285 117 132 286 145 118 287 300 61 130 201 241 0.996 18.73 -6.2 94 94 80 94 300 10.8 0.955 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1076 Pregnane?? 18.7689 1842.9 2.6 scans 86% 345 m/z 0.83% 0.0831% 1205 1.1 213 119617 1725961 1725961 0-0 20: 345 73 147 255 346 347 334 256 148 74 435 133 419 372 257 243 149 239 348 192 0.992 18.86 -6.8 95 94 89 94 537 12.3 0.333 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1002 Phytol 18.8min 18.8478 1848.9 2.7 scans 91% 81 m/z 0.99% 0.150% 1213 1.0 282 100819 3116488 2962756 1-2 20: 81 82 68 95 123 57 55 69 67 83 79 71 96 97 124 109 53 110 56 278 0.999 18.84 0.6 97 96 99 96 278 31.5 1.251 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9425 1856.1 2.7 scans 79% 73 m/z 1.1% 0.0560% 1222 1.0 169 88136 1164402 1029936 10-1 20: 73 103 307 217 147 308 277 218 133 104 309 189 205 74 364 148 89 117 219 191 0.998 18.40 41.1 93 97 95 98 364 16.1 0.909 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1018 Fructose 19.0604 1865.1 2.8 scans 54% 73 m/z 1.5% 0.0425% 1233 1.4 140 62952 0.233% 884326 730790 4839181 1-6 20: 73 103 307 217 147 308 277 218 309 205 104 89 74 148 133 262 219 364 191 117 0.990 18.52 40.8 91 96 94 96 364 13.8 0.974 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0909 1867.4 3.0 scans 94% TIC 0.49% 0.360% 1236 0.7 398 201707 0.766% 7484187 6851055 15909066 1-6 0.998 18.58 39.0 93 96 98 99 278 52.7 1.756 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1068 Galactopyranose 19.2129 1876.7 2.7 scans 72% 204 m/z 0.80% 0.0554% 1248 1.2 165 124359 0.174% 1151136 1108944 3613809 6-0 14: 204 191 147 217 192 206 129 218 193 189 133 219 207 305 0.994 19.32 -7.8 93 93 91 93 435 10.0 0.370 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1064 Mannose 19.2624 1880.5 2.6 scans 91% 73 m/z 0.24% 0.291% 1252 1.0 389 403699 0.319% 6052171 6052171 6625316 0-0 20: 73 319 205 160 147 320 217 103 321 206 117 74 133 148 229 207 161 189 157 129 0.995 19.45 -14.7 97 96 95 96 319 140.0 12.941 -0.193 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BRA4_R~2-N1004 Galactose 19.5086 1899.3 2.9 scans 82% 73 m/z 1.1% 0.0727% 1276 1.0 196 89969 0.132% 1510788 1510788 2741510 0-0 20: 73 319 160 147 320 103 217 71 57 321 85 206 89 133 229 74 99 113 157 161 0.988 19.36 11.2 91 90 78 92 364 0.0 0.000 0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9116 1931.6 2.9 scans 80% TIC 0.62% 0.0971% 1314 0.6 204 158922 0.140% 2017136 1522351 2907662 4-0 0.996 19.91 -0.1 97 96 96 98 361 9.4 0.213 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2767 1961.0 2.6 scans 82% 204 m/z 0.49% 0.100% 1349 1.1 229 200975 2079206 1915878 2-5 19: 204 73 191 205 147 217 192 206 218 129 189 74 103 148 133 219 117 305 203 0.999 20.41 -11.0 95 94 94 94 217 50.8 4.908 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7818 2001.7 2.8 scans 93% TIC 0.41% 0.423% 1397 1.0 458 241590 0.481% 8796051 8692610 9989897 1-3 0.998 20.27 41.5 84 85 95 98 322 30.3 0.438 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1038 C16:0 21.1437 2032.1 2.9 scans 98% 313 m/z 0.039% 2.78% 1431 0.6 1149 2508514 57829099 57829099 0-0 20: 313 117 73 75 132 129 145 314 55 131 133 328 118 57 69 74 201 315 116 269 1.000 20.62 43.8 94 99 99 100 328 127.6 1.234 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6582 2075.3 5.9 scans 83% TIC 0.98% 0.101% 1480 0.9 236 101528 0.364% 2109567 2109567 7559922 0-0 0.994 21.75 -7.6 95 94 91 94 507 14.7 0.386 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9560 2100.4 2.7 scans 73% 327 m/z 1.6% 0.0656% 1508 1.1 181 61706 1363024 1277109 3-2 13: 327 117 132 145 328 129 342 118 329 201 299 283 146 0.985 22.33 -32.6 95 97 95 98 342 23.0 1.610 -0.374 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1040 Phytol 22.6147 2157.9 2.9 scans 85% 143 m/z 0.18% 0.199% 1571 0.9 310 538965 4133953 3943842 4-2 17: 143 73 75 144 123 81 55 124 145 95 103 82 97 67 96 68 74 0.991 22.08 46.4 82 84 90 96 181 0.0 0.000 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1042 C18:2 23.0556 2196.4 4.8 scans 78% 337 m/z (303) 0.31% 0.874% 1613 0.9 499 317045 4.36% 18153496 17843100 90552910 2-0 18: 337 67 81 82 262 96 95 338 54 68 150 109 110 80 220 136 135 94 0.995 22.53 45.6 87 93 96 98 352 31.6 0.402 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1597 2205.7 4.3 scans 94% 79 m/z 0.048% 6.31% 1623 0.3 1418 2068408 7.00% 131057835 120254372 145383112 0-10 20: 79 75 73 95 93 67 108 335 129 80 91 81 107 55 94 121 135 149 77 145 0.988 23.12 3.9 99 99 99 99 350 99.5 0.493 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1036 C18:0 23.4028 2228.0 2.6 scans 93% 341 m/z 0.14% 0.732% 1646 0.8 626 692854 15213327 14826706 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 69 118 343 74 201 116 297 1.000 22.89 46.2 94 99 99 100 356 79.3 1.603 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1018 myo-Inositol 25.2178 2397.6 3.3 scans 70% TIC 0.80% 0.132% 1818 1.1 251 123929 0.345% 2762008 2593286 7165311 1-6 0.943 25.21 0.8 97 96 92 98 470 16.9 0.452 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6208 2437.4 3.4 scans 57% 91 m/z 0.66% 0.0647% 1857 1.3 161 151281 1343748 1233025 2-4 17: 91 117 194 207 92 65 115 208 193 312 104 179 51 195 178 116 63 0.945 25.61 1.1 96 96 95 97 312 19.8 1.518 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5604 2531.8 2.9 scans 45% 512 m/z (218) 1.3% 0.0683% 1946 1.1 180 72767 1418833 1358141 1-1 18: 512 455 247 513 456 514 483 248 349 263 457 497 249 484 235 515 423 179 0.956 26.57 -1.3 93 95 85 96 512 59.8 11.060 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9329 2570.2 2.9 scans 90% 371 m/z 0.051% 1.38% 1981 0.8 825 1942390 28852007 28045732 5-1 20: 371 372 73 147 129 57 205 203 239 373 55 103 459 71 116 75 145 117 101 85 1.000 26.39 55.6 90 97 97 100 459 101.6 1.519 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1008 Sucrose 27.4243 2621.7 2.9 scans 58% 361 m/z 0.44% 0.209% 2028 1.0 298 226316 4346853 3475966 8-19 14: 361 217 362 437 363 271 451 438 218 243 319 439 364 219 0.926 27.59 -17.8 97 96 92 98 437 51.6 2.987 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN LQC1-N1010 Sucrose 27.4243 2621.7 2.9 scans 56% 361 m/z (397) 0.44% 0.218% 2028 1.0 294 226448 4532516 3624432 8-19 14: 361 217 362 437 363 271 451 438 218 243 319 439 364 219 0.966 27.58 -16.5 96 97 94 98 437 51.6 3.084 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9188 2674.5 2.7 scans 91% TIC 0.21% 0.705% 2075 1.0 627 460394 2.00% 14657254 14657254 41538032 0-0 0.999 27.91 1.1 99 98 99 100 662 27.2 0.188 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0440 2687.8 3.0 scans 68% 161 m/z 0.80% 0.150% 2087 1.1 306 124470 1.64% 3131041 3131041 34061186 0-0 18: 161 73 109 57 287 205 145 160 517 201 127 182 574 172 162 245 301 83 0.995 28.03 1.1 98 96 97 99 574 27.0 0.778 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6848 2759.3 2.9 scans 90% TIC 0.28% 0.739% 2148 1.0 617 352764 1.52% 15362075 15362075 31568904 0-0 0.999 28.67 2.0 92 89 91 94 457 98.7 2.562 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7343 2764.8 3.0 scans 89% TIC 0.090% 0.824% 2152 0.9 632 1109316 1.51% 17131958 17131958 31361214 0-0 0.999 28.19 60.9 89 98 98 99 487 79.8 1.597 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1034 Nonacosane 29.5139 2852.5 3.0 scans 54% 57 m/z 0.88% 0.0676% 2227 0.9 191 112708 1405465 1322846 3-1 20: 57 71 85 55 56 365 99 69 83 97 113 70 393 127 366 84 111 141 364 86 0.990 29.50 1.0 93 93 97 93 408 3.1 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8359 2888.7 3.0 scans 57% 57 m/z 0.59% 0.141% 2257 0.9 233 168989 0.148% 2930852 2103991 3073814 12-5 16: 57 71 85 55 99 83 56 113 70 127 84 141 86 126 72 140 0.986 29.83 1.0 94 93 98 97 408 13.4 0.331 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1042 C20:0-2-glycerol 30.3988 2955.0 2.9 scans 81% 189 m/z 0.25% 0.860% 2311 1.1 629 391090 0.996% 17862187 17183257 20685940 1-0 17: 189 129 369 117 145 188 204 485 103 131 75 55 370 385 83 97 486 0.979 30.38 2.1 87 81 75 100 485 94.8 2.271 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4273 2958.3 3.4 scans 47% 193 m/z (189) 0.60% 0.251% 2313 0.9 306 164343 5221267 4753524 2-3 15: 193 119 105 163 120 194 176 91 247 515 106 164 516 92 307 0.941 30.36 8.2 82 85 83 87 529 12.9 0.177 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4746 2964.0 3.3 scans 85% TIC 0.15% 0.492% 2318 1.1 468 638942 1.51% 10224878 9001290 31361214 0-3 0.998 30.46 1.4 99 98 99 100 393 101.6 4.706 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2196 3052.4 2.9 scans 85% 57 m/z 0.10% 0.689% 2389 0.8 578 911252 14326061 14020935 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 98 155 394 392 0.996 31.21 0.9 99 97 99 100 393 85.9 2.210 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1048 Hentriacontane 31.5226 3088.4 3.1 scans 81% 57 m/z 0.11% 0.657% 2417 0.8 547 843685 13654757 13378651 2-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 86 0.998 31.53 -1.1 99 98 99 99 436 30.7 0.315 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6888 3108.2 3.8 scans 19% 204 m/z 1.7% 0.0215% 2433 0.8 116 56334 0.101% 446553 421427 2097671 0-1 10: 204 597 205 598 337 217 73 103 206 129 0.863 31.68 1.6 86 88 81 87 597 14.5 1.573 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8172 3123.4 3.0 scans 69% 502 m/z 0.20% 0.303% 2445 1.0 376 480248 6298020 6093893 1-0 17: 502 237 503 73 236 238 504 277 221 223 239 208 74 505 193 235 224 0.979 31.79 3.0 100 99 95 99 502 183.2 23.757 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9435 3138.4 3.3 scans 57% 329 m/z 1.2% 0.193% 2457 1.0 293 77350 0.198% 4022729 3645280 4112265 1-2 15: 329 129 368 458 353 330 119 328 145 121 107 105 369 459 93 0.967 31.87 9.0 94 94 94 96 458 42.4 2.091 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1171 3159.0 3.4 scans 74% TIC 0.12% 0.607% 2474 0.8 536 796273 0.913% 12614259 12201053 18962112 1-1 0.959 32.11 0.8 97 96 98 99 421 118.5 4.885 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1004 Campesterol 32.7863 3238.5 3.6 scans 48% 343 m/z 0.50% 0.470% 2538 0.7 433 198890 0.489% 9777600 8969447 10156049 1-1 17: 343 129 382 472 367 95 344 107 119 121 145 105 383 342 159 255 93 0.954 32.21 68.4 83 95 83 96 472 66.3 2.348 0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1046 Stigmasterol 32.9830 3261.9 3.2 scans 83% 83 m/z 0.23% 0.982% 2556 0.7 674 420833 20408014 19550831 1-1 20: 83 129 55 255 69 394 81 73 484 75 133 159 119 145 105 93 107 95 97 351 0.992 32.98 0.1 93 90 97 97 665 21.1 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.0956 3275.3 2.9 scans 67% 57 m/z 0.14% 0.500% 2567 1.0 493 673517 10404310 9698159 2-4 20: 57 71 85 55 99 83 69 97 56 113 70 127 84 111 141 98 112 155 58 140 0.985 33.10 -0.1 91 90 98 93 515 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN WTF2-N1034 b-Sitosterol 33.4734 3320.1 3.5 scans 59% 357 m/z 0.60% 0.447% 2603 0.8 429 164509 0.506% 9302024 8984642 10509122 0-4 11: 357 396 486 381 358 107 119 397 356 255 159 0.986 32.88 70.8 83 95 97 99 486 57.6 1.804 0.596 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5828 3333.1 >4 scans 55% 505 m/z 0.60% 0.342% 2613 0.9 403 165730 2.13% 7117733 6946303 44238004 3-0 19: 505 271 73 491 361 169 506 109 103 492 223 201 272 127 362 289 243 507 493 0.991 33.57 1.3 96 95 95 99 505 87.9 4.766 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5891 3333.9 3.6 scans 14% 386 m/z (505) 2.5% 0.118% 2614 1.2 205 39911 0.181% 2461670 2185068 3759192 5-2 7: 386 296 387 371 379 388 394 0.807 33.58 0.6 84 87 74 91 505 9.3 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6396 3339.9 4.5 scans 45% 505 m/z 0.50% 0.253% 2619 1.1 412 196553 1.15% 5271893 5271893 23884368 0-0 20: 505 271 73 491 361 169 109 506 103 223 492 272 289 201 362 127 507 243 493 147 0.986 33.63 1.8 98 97 98 100 505 109.3 7.049 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7048 3347.6 3.6 scans 56% 505 m/z 0.50% 0.404% 2625 1.0 457 198957 1.63% 8397676 8397676 33853496 0-0 20: 505 271 491 361 109 169 506 57 223 103 492 272 507 289 362 127 201 83 71 493 0.974 33.69 1.4 98 97 95 99 505 112.5 6.070 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8942 3370.1 3.4 scans 15% 441 m/z 1.2% 0.0385% 2643 1.0 124 78771 800130 779977 1-1 5: 441 442 308 646 443 0.962 33.80 11.7 93 94 81 94 646 21.5 2.976 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4624 3437.6 4.4 scans 81% 271 m/z 0.16% 2.16% 2697 0.9 833 623631 5.63% 44868168 43641287 116929560 2-0 20: 271 331 73 505 109 361 241 169 223 506 127 103 475 217 201 272 199 289 332 243 0.999 34.52 -6.6 100 99 99 100 505 181.7 4.753 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5855 3452.2 3.9 scans 2.9% 596 m/z 1.1% 0.0374% 2709 1.0 115 87672 776779 749823 3-1 6: 596 597 598 316 599 370 0.955 34.47 13.5 94 95 69 95 596 78.3 46.639 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.6024 3454.2 3.8 scans 76% 271 m/z 0.24% 1.05% 2710 0.9 641 405215 5.46% 21958121 20309317 113398827 0-9 20: 271 73 505 331 109 361 241 223 169 506 475 103 272 127 217 201 332 199 243 289 0.996 34.59 1.6 100 98 99 100 596 8.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN EXBLK5S-N1006 Contamination 6.3783 1048.7 2.1 scans 72% 207 m/z 0.78% 0.0363% 28 0.9 160 126647 838215 686362 5-6 16: 207 73 295 208 209 296 191 297 279 193 189 210 247 177 192 265 0.986 6.63 -14.6 97 96 88 97 295 50.9 10.090 -0.247 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1192 Contamination 8.0239 1146.2 2.5 scans 94% 73 m/z (96) 0.27% 0.218% 184 1.0 352 366260 5045374 4532452 9-1 20: 73 147 133 220 235 59 148 146 72 86 89 160 100 74 103 149 75 131 134 236 0.998 7.99 2.0 96 97 97 98 235 71.2 4.101 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1026 Cadaverine NC 8.1386 1153.0 2.4 scans 73% 174 m/z 2.4% 0.0115% 195 0.9 87 40808 267238 266158 1-0 10: 174 175 142 216 86 59 100 176 160 130 0.990 7.74 23.8 95 95 89 96 216 21.2 5.930 0.403 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1188 Contamination 8.3196 1163.8 2.2 scans 82% 281 m/z 1.9% 0.0223% 212 1.1 125 50093 516350 514732 1-0 17: 281 147 369 282 283 370 207 148 371 249 265 149 74 191 284 251 133 0.967 8.41 -5.6 97 95 76 98 369 35.6 8.069 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1186 Phosphate 8.5490 1177.4 2.1 scans 87% 241 m/z 0.74% 0.0317% 234 1.1 152 133347 732936 692071 1-1 19: 241 242 211 133 163 243 256 195 135 98 89 59 137 257 164 121 134 212 119 1.000 8.56 -0.6 99 98 95 98 299 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1180 Benzoic acid 9.7085 1245.5 3.2 scans 55% 179 m/z 6.2% 0.00717% 344 1.3 58 15888 0.00870% 165457 155689 200716 1-0 7: 179 105 135 77 180 51 194 0.988 9.76 -3.0 95 96 87 95 194 10.2 3.101 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN VEN77_S6-N1002 Glycerol 10.0599 1266.1 3.9 scans 90% 299 m/z 0.018% 2.61% 378 0.4 1039 5503531 60427871 60427871 0-0 20: 299 73 300 314 301 133 283 207 211 315 193 191 316 135 74 75 302 59 131 225 0.945 10.09 -1.9 100 99 97 99 299 617.8 35.503 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LACTIC~1-N1034 Glycerol 10.0641 1266.3 3.1 scans 8.7% 147 m/z (299) 0.22% 0.234% 378 0.5 323 435776 5411792 5163976 1-1 20: 147 103 117 148 206 149 177 101 89 118 116 104 58 175 220 90 150 102 176 113 0.609 10.11 -2.7 88 96 59 93 293 22.7 0.495 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6954 1303.3 2.9 scans 70% 199 m/z 1.1% 0.0716% 438 0.9 198 90597 1652301 1644419 2-0 19: 199 75 117 73 145 132 129 200 131 74 76 118 61 81 155 201 116 72 146 0.793 10.73 -2.3 96 95 91 99 209 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1168 Glyceric acid 10.9711 1319.9 2.6 scans 78% 73 m/z 3.0% 0.0172% 464 1.1 105 32994 0.0208% 397893 397893 479872 0-0 19: 73 147 189 292 103 205 57 133 293 102 190 148 307 101 294 74 117 149 59 0.995 11.05 -5.0 93 92 84 94 292 29.7 8.034 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0248 1323.2 2.5 scans 62% 184 m/z 8.1% 0.0104% 469 1.0 80 12344 240319 240319 1-0 8: 184 134 285 174 86 59 100 185 1.000 11.06 -2.3 85 84 62 89 285 20.3 6.519 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1162 Fumaric acid 11.2984 1339.6 2.5 scans 29% 245 m/z 14% 0.00111% 495 1.2 26 6809 25805 25805 0-0 1: 245 0.854 11.39 -5.7 80 89 53 89 245 21.7 67.813 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4015 1345.8 3.3 scans 36% 57 m/z (84) 0.44% 0.132% 505 0.8 231 224331 0.134% 3056038 2693897 3091481 4-3 20: 57 97 115 145 127 69 129 56 111 59 128 109 72 58 71 98 87 201 114 96 0.965 11.45 -2.7 95 97 96 99 145 68.7 8.840 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4246 1347.2 2.9 scans 91% 84 m/z 0.049% 0.781% 507 0.8 627 2026417 18024489 17280373 1-4 20: 84 133 162 161 119 92 85 118 82 65 51 130 134 78 117 63 163 52 230 120 0.994 10.96 28.2 94 94 95 98 161 161.9 6.659 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1146 Malic acid 13.4743 1473.9 2.6 scans 94% 73 m/z 0.22% 0.202% 702 1.1 351 436229 4679070 4492505 1-1 20: 73 147 233 245 133 189 148 190 75 74 191 175 101 335 55 149 234 59 217 171 0.998 13.62 -8.9 99 98 97 98 350 7.1 0.040 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2845 1526.2 2.5 scans 48% 263 m/z (71) 0.88% 0.0260% 779 1.0 126 113431 601032 595834 0-1 16: 263 264 278 265 447 342 279 175 448 335 449 247 207 191 105 131 0.992 14.33 -2.8 85 83 81 96 278 34.1 7.273 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5812 1545.9 2.5 scans 53% 292 m/z 3.3% 0.0151% 807 1.0 96 30014 348634 334163 2-1 15: 292 147 220 205 293 217 148 74 103 149 206 294 133 130 102 0.971 14.62 -2.7 90 90 85 90 409 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6833 1552.7 3.0 scans 87% TIC 0.70% 0.0474% 817 1.5 165 141833 0.202% 1095782 1082024 4660293 3-0 0.997 14.16 34.4 90 91 89 98 250 30.3 3.371 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1044 Dodecanol 14.7359 1556.2 2.6 scans 67% 243 m/z 1.5% 0.0223% 822 1.1 120 64607 0.0233% 516679 501063 537549 0-1 13: 243 75 244 103 89 97 83 245 101 111 61 76 115 0.925 14.24 32.8 93 95 82 96 243 66.9 31.233 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1984 1655.7 2.9 scans 74% TIC 1.1% 0.0227% 961 1.9 119 87631 0.0721% 524702 524702 1663401 0-0 0.950 16.28 -5.4 96 95 88 98 392 18.0 2.278 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5509 1680.1 2.9 scans 77% TIC 1.9% 0.0263% 995 1.3 131 50508 0.0938% 608231 608231 2164037 0-0 0.980 16.63 -5.3 94 93 92 93 210 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1010 Glycerol-P 17.4716 1746.3 2.5 scans 93% 357 m/z 0.14% 0.646% 1082 1.0 634 700790 14911895 14160320 1-1 20: 357 299 73 358 147 315 300 445 370 211 101 103 359 133 301 387 256 129 218 75 0.985 16.97 36.8 96 99 98 99 445 99.4 2.456 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4291 1816.9 4.0 scans 96% TIC 0.030% 4.37% 1173 0.5 1303 3311769 100998810 97983530 1-2 0.994 17.91 38.7 96 99 98 99 327 124.6 0.916 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1012 Phytol 18.5543 1826.5 2.7 scans 97% 68 m/z 0.18% 0.683% 1185 0.8 630 551734 0.750% 15760682 15737406 17303067 0-1 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 56 79 53 70 1.000 18.04 38.4 95 98 99 99 278 36.0 0.327 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1016 Hexadecene 18.6269 1832.0 2.8 scans 84% 70 m/z 0.98% 0.0846% 1192 1.2 212 101410 0.620% 1951927 1851391 14303868 0-1 20: 70 69 55 71 57 83 56 111 125 126 97 280 84 140 67 112 98 68 82 53 0.998 18.10 39.6 82 81 92 97 280 30.8 2.118 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6564 1834.3 2.6 scans 64% 285 m/z (70) 3.0% 0.0239% 1195 1.0 118 33042 552123 551797 1-0 14: 285 117 132 286 145 118 287 116 300 61 241 201 119 130 0.989 18.73 -5.4 93 95 86 95 300 11.8 0.999 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1076 Pregnane?? 18.7795 1843.7 2.7 scans 75% 345 m/z 1.2% 0.0489% 1206 1.2 169 81904 1128886 1128886 0-0 19: 345 73 255 346 147 347 334 256 257 435 74 372 148 192 243 215 419 239 149 0.912 18.86 -6.0 89 89 81 89 537 9.9 0.343 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1002 Phytol 18.8min 18.8584 1849.7 2.6 scans 89% 81 m/z 1.1% 0.111% 1214 1.0 258 85040 2564463 2420655 1-1 20: 81 82 68 95 57 123 55 69 67 79 83 71 96 124 97 109 53 110 278 56 0.992 18.84 1.4 97 96 99 97 278 29.5 1.306 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9520 1856.8 2.7 scans 81% 73 m/z 0.99% 0.0582% 1223 0.9 182 100589 0.0833% 1344731 1263272 1921794 4-3 20: 73 103 307 217 147 308 218 277 133 309 104 189 205 74 89 364 117 148 172 219 0.997 18.40 41.8 92 97 96 98 364 17.1 0.885 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1018 Fructose 19.0699 1865.8 2.8 scans 60% 73 m/z 1.3% 0.0418% 1234 1.3 153 74205 0.119% 964942 918007 2745420 1-3 20: 73 103 307 217 147 308 277 218 104 309 89 74 262 205 148 219 364 133 189 117 0.997 18.52 41.5 92 96 95 97 364 15.1 0.967 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1014 1868.2 2.9 scans 93% TIC 0.55% 0.285% 1237 0.7 376 180892 6579382 6016471 1-2 0.999 18.58 39.8 93 96 98 99 278 49.7 1.749 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1064 Mannose 19.2730 1881.3 2.7 scans 94% 73 m/z 0.18% 0.366% 1253 1.0 456 533930 8462851 8457208 1-0 20: 73 319 205 147 160 320 217 103 206 321 117 74 133 207 229 148 161 189 129 157 0.997 19.45 -13.9 97 96 97 97 319 162.0 12.636 -0.182 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BRA4_R~2-N1004 Galactose 19.5213 1900.3 2.9 scans 84% 73 m/z 0.80% 0.103% 1277 1.0 238 124476 0.141% 2378224 2378224 3252977 0-0 20: 73 319 205 147 160 88 320 103 217 321 71 57 102 85 89 74 133 148 161 229 0.991 19.36 12.2 90 89 77 91 364 0.0 0.000 0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9243 1932.7 2.6 scans 79% 204 m/z 0.42% 0.0950% 1315 1.0 233 235952 2192517 2046403 2-1 16: 204 217 159 205 147 206 129 218 103 189 191 160 219 203 291 59 1.000 19.91 1.0 98 97 96 98 361 11.1 0.227 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7944 2002.7 3.0 scans 92% TIC 0.43% 0.354% 1398 1.1 442 228033 0.497% 8176701 8147005 11466166 1-2 0.994 20.27 42.5 84 85 95 98 322 28.8 0.425 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1038 C16:0 21.1543 2033.0 3.1 scans 97% 313 m/z 0.040% 2.52% 1432 0.6 1121 2451593 58169365 56745380 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 74 201 315 116 130 1.000 20.62 44.7 94 99 99 100 328 125.6 1.258 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6709 2076.4 2.8 scans 65% 305 m/z 1.5% 0.0630% 1481 1.1 190 66009 1454825 1389678 2-1 18: 305 217 147 318 191 306 319 265 218 307 432 320 433 148 291 367 219 192 0.977 21.75 -6.5 93 92 89 93 507 12.6 0.438 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9687 2101.5 2.8 scans 64% 327 m/z 2.1% 0.0466% 1509 1.1 155 46581 1076627 1007397 3-3 13: 327 117 132 145 328 342 118 329 201 116 299 283 146 0.975 22.33 -31.5 94 97 93 97 342 20.0 1.661 -0.361 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1854 2120.4 2.5 scans 10% 396 m/z 14% 0.00217% 1530 1.2 38 6925 50249 50249 0-0 4: 396 397 381 220 0.777 22.19 -0.1 82 86 46 85 396 21.9 33.086 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1040 Phytol 22.6263 2158.9 3.0 scans 82% TIC 0.19% 0.147% 1572 1.1 302 522650 0.286% 3392643 3375917 6598236 0-1 0.975 22.08 47.4 81 84 87 95 181 0.0 0.000 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1042 C18:2 23.0451 2195.5 5.8 scans 84% 73 m/z (299) 0.24% 1.02% 1612 1.2 522 412460 5.02% 23537506 22259527 115815193 3-0 19: 73 129 74 131 181 229 213 142 156 193 59 195 169 101 307 182 87 267 498 0.979 22.53 44.7 87 94 93 97 352 30.6 0.345 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1629 2206.0 4.1 scans 93% 75 m/z 0.050% 5.26% 1623 0.4 1374 1977257 5.92% 121397136 107310204 136578873 0-11 20: 75 73 79 95 67 93 108 129 81 55 117 80 91 107 94 339 121 77 145 135 0.987 23.12 4.2 99 99 99 98 350 93.3 0.461 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1036 C18:0 23.4144 2229.0 2.7 scans 92% 341 m/z 0.14% 0.673% 1647 0.8 615 684821 15546380 14544576 3-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 1.000 22.89 47.2 93 99 99 99 356 78.5 1.630 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1594 2297.1 3.3 scans 37% 204 m/z 1.0% 0.0472% 1718 0.8 150 96880 0.0562% 1090822 1011038 1296576 0-4 17: 204 147 205 337 217 103 206 338 219 218 339 361 305 148 203 101 243 0.781 24.18 -2.0 87 85 82 91 581 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1594 2297.1 3.3 scans 28% 204 m/z (73) 1.0% 0.0396% 1718 0.8 130 97681 0.0472% 915070 848140 1088940 0-4 17: 204 147 205 337 217 103 206 338 219 218 339 361 305 148 203 101 243 0.930 24.01 13.6 86 88 70 89 490 0.0 0.000 0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1018 myo-Inositol 25.2294 2398.7 3.3 scans 67% TIC 0.93% 0.0966% 1819 1.3 233 107117 0.284% 2230810 2219470 6552095 2-1 0.948 25.21 1.9 97 96 91 98 470 15.9 0.462 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6377 2439.1 3.4 scans 50% 91 m/z 0.84% 0.0460% 1858 1.3 142 118379 1063370 980563 3-2 18: 91 117 194 207 115 92 65 193 208 312 104 51 118 178 195 179 128 78 0.977 25.61 2.8 96 96 94 96 312 17.2 1.469 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5731 2533.1 2.8 scans 27% 512 m/z 1.4% 0.0544% 1947 1.0 175 68181 1256658 1212078 1-1 16: 512 455 247 513 456 483 514 248 349 263 457 497 423 409 484 498 0.948 26.57 -0.0 94 95 81 95 512 62.6 12.711 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9477 2571.8 2.8 scans 86% 371 m/z 0.047% 1.36% 1983 0.8 858 2125023 31447692 30371799 6-0 19: 371 372 147 57 129 205 203 239 459 373 55 71 103 116 101 75 145 85 313 1.000 26.39 57.2 90 97 97 100 459 107.0 1.557 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN LQC1-N1008 Sucrose 27.4348 2622.8 3.0 scans 37% 361 m/z 0.46% 0.170% 2029 1.0 289 214825 3937993 3269840 1-22 10: 361 362 437 363 271 451 438 439 452 364 0.917 27.59 -16.7 95 94 91 98 437 52.0 3.229 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9283 2675.5 2.8 scans 79% 73 m/z 0.29% 0.474% 2076 1.0 542 340580 1.23% 10958151 10012476 28377029 1-0 20: 73 161 109 57 160 145 205 287 214 147 286 75 127 201 83 186 517 172 301 312 0.998 27.91 2.1 99 98 99 100 662 24.1 0.197 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0535 2688.8 3.0 scans 56% 161 m/z 1.0% 0.118% 2088 1.3 276 94831 1.22% 2735233 2735233 28146322 0-0 16: 161 109 57 287 205 145 160 201 517 127 182 574 162 83 245 301 0.979 28.03 2.1 97 96 95 99 574 23.8 0.745 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.4134 2728.7 2.8 scans 32% 399 m/z 1.8% 0.0420% 2122 0.9 152 54065 971152 900557 1-1 5: 399 400 487 401 488 0.803 28.19 24.8 90 91 78 91 487 20.5 1.833 0.220 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1030 C18:0-2-glycerol 28.6964 2760.6 3.2 scans 88% TIC 0.36% 0.527% 2149 1.1 545 276224 1.29% 12176380 12176380 29761275 0-0 0.999 28.67 3.3 92 90 91 94 457 86.2 2.507 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1034 Nonacosane 29.5256 2853.8 3.1 scans 49% 57 m/z 0.85% 0.0699% 2228 1.1 195 116998 0.0762% 1614918 1451217 1757992 3-5 18: 57 71 85 55 99 56 83 97 70 113 127 364 84 393 141 58 98 86 0.987 29.50 2.3 95 96 97 96 408 5.9 0.091 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8496 2890.3 3.1 scans 57% 57 m/z 0.64% 0.102% 2258 0.9 223 154897 2358926 1997234 4-3 16: 57 71 85 99 113 56 70 97 127 84 141 98 140 72 112 155 0.993 29.83 2.6 95 95 99 96 408 13.2 0.351 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1042 C20:0-2-glycerol 30.4105 2956.3 2.9 scans 78% 189 m/z 0.32% 0.607% 2312 1.1 555 304153 0.654% 14019999 13343095 15088274 1-2 15: 189 129 369 145 117 204 188 485 103 131 370 385 435 83 295 0.975 30.38 3.4 86 79 74 100 485 84.0 2.294 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4389 2959.7 3.3 scans 45% 193 m/z (189) 0.63% 0.206% 2314 1.1 298 157968 4770968 4456541 2-1 16: 193 119 105 163 120 194 176 91 515 247 325 106 516 164 92 223 0.934 30.36 9.6 86 89 83 88 529 13.3 0.199 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4873 2965.5 3.3 scans 86% TIC 0.17% 0.404% 2319 1.0 454 587715 1.17% 9337643 8935623 26992784 0-1 0.999 30.46 2.9 99 97 99 100 393 98.4 4.703 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2312 3053.8 2.9 scans 82% 57 m/z 0.11% 0.602% 2390 0.8 568 883037 0.667% 13891389 12985502 15388194 3-2 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 421 155 394 98 0.985 31.21 2.3 100 99 99 100 393 85.0 2.242 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1048 Hentriacontane 31.5353 3089.9 3.3 scans 76% TIC 0.11% 0.724% 2419 0.6 556 866032 1.03% 16707864 13478126 23762878 5-1 0.987 31.53 0.4 99 98 99 99 436 31.8 0.326 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6994 3109.4 7.5 scans 20% 204 m/z 1.4% 0.0159% 2434 1.4 122 66907 0.155% 367006 362357 3575967 0-3 12: 204 597 73 205 337 206 217 103 191 598 129 243 0.883 31.68 2.8 87 88 81 87 597 15.2 1.555 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8299 3124.9 2.9 scans 64% 502 m/z 0.22% 0.246% 2447 0.9 352 441479 5677628 5399680 1-1 14: 502 237 503 236 238 504 277 221 239 208 223 505 262 275 0.975 31.79 4.5 100 99 95 99 502 175.0 24.684 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9572 3140.0 3.1 scans 49% 329 m/z 1.2% 0.172% 2459 1.0 291 79056 3968973 3547655 1-4 16: 329 129 368 353 458 554 330 107 328 369 121 119 145 443 247 459 0.954 31.87 10.6 95 95 94 96 458 42.2 2.100 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1298 3160.5 3.6 scans 68% TIC 0.13% 0.472% 2475 0.9 516 726245 0.907% 10909750 10618741 20925175 1-0 0.994 32.11 2.3 98 96 99 99 421 111.0 4.635 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1004 Campesterol 32.7989 3240.0 3.7 scans 43% 343 m/z 0.53% 0.403% 2539 0.9 419 187507 9306275 8812278 1-2 16: 343 129 382 472 367 344 121 107 119 383 145 105 342 473 159 109 0.805 32.21 69.9 83 96 83 98 472 63.8 2.313 0.589 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1046 Stigmasterol 32.9947 3263.3 3.2 scans 79% 83 m/z 0.26% 0.761% 2557 0.9 636 376879 17563051 17563051 0-0 19: 83 129 55 255 69 394 484 81 75 133 105 159 119 107 145 93 95 351 97 0.991 32.98 1.5 94 91 97 97 665 19.2 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1072 3276.6 3.1 scans 64% 57 m/z 0.17% 0.377% 2568 1.0 452 567563 8704843 8627368 0-4 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 112 155 82 86 0.984 33.10 1.2 90 88 98 92 515 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN WTF2-N1034 b-Sitosterol 33.4871 3321.7 4.0 scans 54% TIC 0.61% 0.421% 2604 1.0 416 162302 1.40% 9726220 6062715 32299058 12-0 0.971 32.88 72.4 85 98 97 99 486 56.5 1.845 0.610 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5955 3334.6 >5 scans 45% TIC 0.74% 0.162% 2614 1.2 360 133336 1.49% 3745309 3745309 34375426 0-0 0.963 33.57 2.8 96 95 92 98 505 81.2 5.088 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6039 3335.6 3.7 scans 12% 386 m/z (505) 2.8% 0.0862% 2615 1.2 184 34677 0.148% 1990213 1949779 3414472 1-1 6: 386 296 387 379 394 228 0.762 33.58 2.3 83 88 69 91 505 8.9 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6512 3341.2 4.9 scans 37% 505 m/z 0.69% 0.159% 2620 1.0 348 144439 0.894% 3680484 3680484 20625256 0-0 20: 505 271 491 73 361 169 109 506 223 103 492 507 289 272 127 201 493 362 243 273 0.988 33.63 3.1 98 97 96 99 505 93.3 7.184 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7175 3349.1 3.5 scans 51% 505 m/z (204) 0.64% 0.360% 2626 1.0 410 155963 1.58% 8315141 8315141 36451794 0-0 19: 505 271 491 361 109 506 169 57 223 492 289 507 272 71 127 201 83 362 493 0.986 33.69 2.9 96 97 96 99 505 98.8 5.804 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9069 3371.6 3.4 scans 2.0% 441 m/z 5.5% 0.00414% 2644 0.9 43 17931 95651 95651 0-0 3: 441 442 308 0.687 33.80 13.2 86 89 51 90 646 6.8 2.423 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4698 3438.5 4.1 scans 82% 271 m/z 0.19% 1.45% 2698 1.2 732 510612 3.76% 33503330 31482324 86746041 1-0 20: 271 73 331 505 109 361 241 169 506 223 127 103 475 201 272 217 199 332 289 243 0.998 34.59 -14.1 100 98 98 100 596 0.0 0.000 -0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5414 3447.0 4.4 scans 73% 271 m/z 0.18% 1.14% 2704 0.9 752 526921 3.28% 26405048 26405048 75672078 0-0 20: 271 331 73 505 109 361 241 223 169 506 103 475 127 272 201 217 199 289 332 243 0.998 34.52 2.8 100 99 99 100 505 167.3 4.953 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6013 3454.1 3.6 scans 3.8% 596 m/z 1.2% 0.0325% 2710 1.0 117 80974 751818 705396 2-1 4: 596 597 598 316 0.876 34.47 15.4 93 95 70 96 596 74.9 40.894 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 1.9 scans 78% 207 m/z 0.56% 0.0469% 27 1.2 190 176622 1006459 1005205 1-0 18: 207 73 295 208 209 296 191 297 74 279 193 189 177 192 247 210 298 119 0.961 6.63 -15.0 98 97 92 97 295 60.3 10.023 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9020 1139.0 3.4 scans 32% 147 m/z 8.8% 0.00262% 173 1.5 45 11338 0.0788% 56336 56336 1689411 0-0 3: 147 73 148 0.856 7.79 6.4 89 91 82 90 219 0.0 0.000 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1192 Contamination 8.0609 1148.4 2.4 scans 95% TIC 0.30% 0.207% 188 0.9 326 322673 0.227% 4450341 4114827 4866703 8-1 0.999 7.99 4.2 97 96 97 97 235 65.6 4.058 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1026 Cadaverine NC 8.1324 1152.7 2.5 scans 77% TIC 2.0% 0.0158% 194 1.7 92 49192 340268 322453 0-1 0.992 7.74 23.5 93 92 87 94 216 22.9 6.233 0.396 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1188 Contamination 8.3166 1163.6 2.3 scans 83% TIC 1.7% 0.0273% 212 1.5 132 55634 0.0359% 587192 569583 769668 0-5 0.951 8.41 -5.8 96 95 73 98 369 37.1 7.971 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1186 Phosphate 8.5744 1178.9 2.4 scans 91% 241 m/z 0.54% 0.0599% 237 1.2 176 183598 1286176 1149186 1-10 20: 241 242 133 211 243 163 256 73 195 135 98 89 59 137 119 121 181 164 257 134 0.997 8.56 0.9 100 99 96 99 299 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1180 Benzoic acid 9.7307 1246.8 2.6 scans 58% 179 m/z 6.4% 0.00593% 346 1.2 56 15409 0.00929% 127171 127171 199170 0-0 6: 179 105 135 77 180 194 0.975 9.76 -1.7 94 95 85 95 194 9.4 2.831 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN VEN77_S6-N1002 Glycerol 10.0716 1266.7 4.1 scans 90% 299 m/z 0.017% 3.05% 379 0.5 1044 5809585 65429685 64085696 1-1 20: 299 73 300 314 301 133 207 283 315 211 193 191 316 135 302 74 225 131 284 115 0.949 10.09 -1.3 100 99 98 99 299 626.2 36.155 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LACTIC~1-N1034 Glycerol 10.0843 1267.5 2.4 scans 13% 205 m/z (299) 0.23% 0.268% 380 0.5 349 431703 5756196 5551206 4-0 20: 205 147 117 218 103 206 148 204 129 219 203 101 175 217 118 293 220 294 130 295 0.694 10.11 -1.5 89 95 59 94 293 27.4 0.615 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7093 1304.2 2.7 scans 76% 199 m/z (175) 1.1% 0.0799% 439 1.0 195 90440 1714690 1661939 4-0 19: 199 75 117 73 145 132 200 129 131 74 118 76 61 81 116 155 146 201 119 0.995 10.73 -1.4 93 93 93 99 209 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1168 Glyceric acid 10.9797 1320.5 2.5 scans 73% 73 m/z 2.9% 0.0171% 465 1.2 103 33937 0.0235% 367886 366591 503822 1-0 19: 73 147 189 292 103 133 205 102 148 293 190 307 74 294 149 117 59 191 131 0.988 11.05 -4.4 94 94 90 95 292 31.1 9.087 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0376 1323.9 2.7 scans 74% TIC 2.8% 0.0260% 471 0.8 110 35294 0.0442% 558466 460200 947614 0-4 0.944 11.06 -1.6 96 96 91 97 285 33.2 9.188 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1162 Fumaric acid 11.3101 1340.3 >3 scans 45% TIC 10% 0.00257% 496 0.1 42 9944 0.539% 55269 55269 11555740 0-0 0.909 11.39 -5.0 83 87 70 87 245 25.9 37.863 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4132 1346.5 3.0 scans 33% 57 m/z (84) 0.46% 0.144% 506 0.8 223 213008 0.147% 3107078 2590929 3151565 7-3 19: 57 115 97 145 127 129 69 111 59 109 128 72 98 58 71 201 87 114 113 0.950 11.45 -2.0 96 98 96 98 145 65.9 8.704 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4353 1347.9 3.2 scans 92% TIC 0.046% 1.01% 508 0.7 642 2170570 1.04% 21754064 19904853 22296790 5-0 0.987 10.96 28.9 94 95 96 98 161 167.6 6.823 0.479 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1146 Malic acid 13.4734 1473.8 2.5 scans 96% 73 m/z 0.17% 0.273% 702 1.0 397 575325 5863550 5672536 1-1 20: 73 147 233 245 133 148 189 190 75 74 191 175 55 101 149 335 234 59 117 217 1.000 13.62 -9.0 99 98 97 98 350 8.4 0.045 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9700 1505.4 2.7 scans 38% 156 m/z 5.7% 0.00424% 749 1.0 47 17258 90983 90983 0-0 4: 156 258 157 230 1.000 14.11 -9.3 89 90 80 90 273 0.0 0.000 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5782 1545.7 2.7 scans 57% 73 m/z 3.1% 0.0174% 807 1.0 96 32105 0.0179% 373139 336298 383762 3-1 18: 73 292 147 220 205 293 103 217 319 74 148 294 133 149 206 130 143 131 0.978 14.62 -2.9 89 89 84 90 409 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6824 1552.6 2.8 scans 90% TIC 0.55% 0.0665% 817 1.5 183 179747 0.238% 1425772 1344248 5102535 4-0 1.000 14.16 34.3 90 91 90 98 250 34.2 3.485 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 2.7 scans 80% 243 m/z 1.0% 0.0372% 822 1.0 141 90994 0.0385% 798511 759081 825410 1-1 16: 243 75 244 103 89 97 83 69 245 61 101 111 76 115 129 67 1.000 14.24 32.6 94 96 93 97 243 78.4 30.763 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1944 1655.4 3.0 scans 71% 290 m/z 1.1% 0.0312% 961 1.9 114 84065 0.0360% 669648 616174 771812 3-0 11: 290 291 73 292 392 158 144 131 115 74 100 0.977 16.28 -5.7 95 94 86 97 392 17.3 2.292 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5479 1679.9 2.8 scans 86% 55 m/z 0.96% 0.0890% 994 1.3 192 103648 0.0974% 1910049 1484828 2088180 9-4 18: 55 69 83 97 56 70 84 111 127 82 98 113 68 140 96 67 112 54 1.000 16.63 -5.5 96 95 96 95 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1010 Glycerol-P 17.4696 1746.2 2.5 scans 93% 357 m/z 0.14% 0.707% 1082 0.9 624 708682 15161484 14700720 1-1 20: 357 299 73 358 147 315 300 445 370 211 103 101 359 133 301 387 256 129 131 218 0.984 16.97 36.7 96 99 98 99 445 98.0 2.463 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4271 1816.8 4.0 scans 92% 73 m/z (310) 0.029% 4.94% 1173 0.5 1304 3442905 105920132 101054412 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 66 133 90 213 77 121 1.000 17.91 38.6 93 99 99 99 327 125.9 0.934 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1012 Phytol 18.5534 1826.4 2.7 scans 97% 68 m/z 0.15% 0.870% 1185 0.8 667 636748 0.958% 18661681 18279253 20538773 1-1 20: 68 95 82 57 55 69 123 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 38.3 95 98 99 99 278 38.2 0.327 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1016 Hexadecene 18.6250 1831.9 2.9 scans 81% 70 m/z 0.88% 0.105% 1192 1.0 216 112988 0.599% 2254552 1992388 12842093 0-2 18: 70 69 57 55 71 83 56 111 125 97 84 280 126 140 112 67 98 53 0.992 18.10 39.5 82 82 93 97 280 31.4 2.110 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6523 1834.0 2.6 scans 50% 285 m/z 2.8% 0.0255% 1194 1.0 117 35335 547061 522692 2-1 13: 285 117 132 286 145 118 287 116 300 61 130 257 119 0.993 18.73 -5.7 94 94 81 94 300 12.1 1.070 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1076 Pregnane?? 18.7754 1843.4 2.6 scans 82% 345 m/z 1.0% 0.0644% 1206 1.0 189 92383 1381494 1320608 1-1 19: 345 73 346 255 147 347 334 256 148 74 133 149 372 435 257 348 243 239 193 0.990 18.86 -6.3 91 90 85 90 537 10.7 0.323 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1002 Phytol 18.8min 18.8564 1849.5 2.7 scans 90% 82 m/z 1.0% 0.146% 1214 1.1 267 93461 0.148% 3150005 2888461 3173005 1-8 20: 82 81 68 95 57 123 55 69 83 67 79 96 71 124 97 109 53 110 278 56 0.999 18.84 1.2 96 95 99 96 278 30.8 1.330 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9480 1856.5 2.6 scans 83% 73 m/z 0.87% 0.0700% 1222 1.0 190 113730 0.100% 1501635 1414385 2143922 6-3 20: 73 103 307 217 147 308 218 277 133 74 104 309 189 205 364 117 89 148 172 191 0.998 18.40 41.5 92 97 96 98 364 18.6 0.952 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1018 Fructose 19.0658 1865.5 2.9 scans 52% 73 m/z 1.2% 0.0558% 1234 1.4 155 77510 0.330% 1197353 1057641 7074943 1-6 20: 73 103 307 217 147 308 277 218 309 205 104 364 262 89 74 133 219 148 189 117 0.993 18.52 41.2 90 95 93 96 364 15.8 1.039 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0995 1868.1 2.7 scans 93% 81 m/z 0.47% 0.313% 1237 0.9 397 210402 6719262 6511846 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 96 97 71 109 124 278 111 53 56 0.999 18.58 39.7 93 96 98 99 278 52.8 1.770 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1068 Galactopyranose 19.2184 1877.1 >3 scans 69% TIC 1.0% 0.0268% 1248 1.7 138 91970 0.678% 574757 574757 14535792 0-0 0.990 19.32 -7.4 88 87 89 88 435 8.4 0.375 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1064 Mannose 19.2699 1881.1 2.5 scans 92% 73 m/z 0.15% 0.453% 1253 0.8 497 640908 0.468% 9720802 9266812 10033555 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 189 148 207 161 129 157 0.995 19.45 -14.1 98 97 97 97 319 181.2 13.284 -0.185 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BRA4_R~2-N1004 Galactose 19.5172 1899.9 3.0 scans 82% 73 m/z 0.81% 0.100% 1276 0.9 218 122710 0.144% 2146201 2025107 3087248 1-0 19: 73 319 205 147 160 320 103 217 321 206 229 89 71 74 133 148 85 117 161 0.992 19.36 11.8 93 92 86 94 364 0.0 0.000 0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9202 1932.3 2.8 scans 87% TIC 0.37% 0.137% 1315 0.6 251 264059 0.182% 2950587 2607099 3901938 3-0 0.999 19.91 0.6 98 96 96 99 361 11.1 0.195 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2822 1961.4 2.6 scans 71% 204 m/z 0.76% 0.0620% 1349 1.1 179 131451 1330907 1167766 2-7 20: 204 191 73 205 147 217 192 206 193 129 218 189 74 103 148 133 117 305 219 149 0.936 20.41 -10.6 93 92 91 92 217 40.6 5.157 -0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7925 2002.6 2.9 scans 93% TIC 0.38% 0.458% 1398 1.0 465 258559 0.647% 9822926 9583234 13871176 1-2 0.999 20.27 42.4 83 84 95 98 322 30.6 0.434 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1038 C16:0 21.1534 2032.9 2.9 scans 98% 313 m/z 0.036% 2.91% 1432 0.5 1172 2739809 62562864 62261344 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 57 118 133 69 74 201 315 116 130 1.000 20.62 44.6 94 99 99 100 328 132.3 1.276 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6679 2076.1 2.8 scans 65% 305 m/z 1.2% 0.0751% 1481 0.9 195 77988 1611826 1558093 1-1 16: 305 217 318 147 191 306 319 265 218 307 432 320 433 192 367 219 0.934 21.75 -6.8 94 93 80 94 507 13.3 0.462 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9657 2101.2 3.0 scans 74% TIC 1.6% 0.0695% 1509 0.8 179 61293 0.151% 1491323 1364015 3237322 0-1 0.972 22.33 -31.8 95 97 95 97 342 22.1 1.531 -0.364 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1824 2120.1 2.7 scans 20% 396 m/z 9.2% 0.00582% 1530 1.2 54 10845 0.00697% 124923 118110 149431 1-0 6: 396 219 397 381 220 398 0.800 22.19 -0.4 87 89 68 89 396 27.1 25.364 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1040 Phytol 22.6212 2158.4 3.0 scans 84% 143 m/z 0.19% 0.198% 1571 1.1 298 513465 0.205% 4255875 3970161 4395040 6-3 17: 143 73 75 144 123 81 145 124 55 95 103 82 97 74 96 68 67 0.990 22.08 46.9 81 84 91 96 181 0.0 0.000 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1042 C18:2 23.0421 2195.2 5.6 scans 78% 73 m/z (299) 0.20% 1.12% 1611 1.4 522 483961 5.35% 24146870 22038220 114699831 4-0 20: 73 129 191 74 270 131 394 130 239 212 116 181 207 229 156 143 72 213 56 98 0.973 22.53 44.4 85 93 92 96 352 28.7 0.303 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1641 2206.1 4.5 scans 93% 75 m/z 0.049% 6.44% 1623 0.4 1381 2040373 7.28% 138142070 121337660 156077527 0-11 20: 75 73 79 95 67 93 108 129 117 55 81 80 91 107 339 94 121 145 135 77 0.987 23.12 4.3 99 99 99 99 350 97.5 0.499 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1036 C18:0 23.4114 2228.7 2.8 scans 92% 341 m/z 0.14% 0.757% 1647 0.9 597 675874 16235382 15602238 3-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 343 69 131 201 74 297 116 0.999 22.89 46.9 93 99 99 99 356 76.0 1.622 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7186 2256.8 2.9 scans 22% 163 m/z 1.5% 0.0268% 1676 1.0 111 64510 0.0332% 575020 552885 711782 2-0 7: 163 331 164 165 88 332 178 0.712 23.72 -0.1 88 89 73 92 331 25.2 5.194 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1543 2296.6 3.2 scans 47% 204 m/z 0.89% 0.0594% 1717 0.9 161 111468 0.0723% 1274334 1146913 1550056 0-9 20: 204 205 217 147 337 103 206 218 219 338 191 361 148 339 101 189 203 305 229 221 0.793 24.01 13.1 86 83 83 93 490 0.0 0.000 0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1543 2296.6 3.2 scans 35% 204 m/z (333) 0.88% 0.0483% 1717 0.9 139 113570 0.0589% 1037606 933855 1262770 0-9 20: 204 205 217 147 337 103 206 218 219 338 191 361 148 339 101 189 203 305 229 221 0.891 24.18 -2.5 87 89 70 89 581 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1018 myo-Inositol 25.2264 2398.4 3.4 scans 67% TIC 0.95% 0.103% 1819 1.1 223 104305 0.323% 2221042 2215355 6924868 0-1 0.930 25.21 1.6 97 96 91 98 470 15.7 0.495 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6336 2438.7 3.2 scans 55% 91 m/z 0.69% 0.0594% 1858 1.3 156 144625 1275109 1150828 3-3 14: 91 117 194 207 92 115 65 193 51 178 128 195 78 63 0.971 25.61 2.4 97 97 95 97 312 18.3 1.382 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5680 2532.5 2.8 scans 40% 512 m/z (218) 1.2% 0.0739% 1947 1.0 187 77188 1585877 1585877 0-1 18: 512 455 247 513 456 483 514 248 263 349 457 484 235 423 497 249 409 234 0.952 26.57 -0.6 93 95 86 96 512 62.0 10.973 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9426 2571.2 2.9 scans 91% 371 m/z 0.042% 1.56% 1982 0.8 884 2373429 33478774 32755283 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 145 75 101 117 85 1.000 26.39 56.6 90 98 97 100 459 111.6 1.597 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1008 Sucrose 27.4318 2622.5 2.8 scans 52% 361 m/z (317) 0.42% 0.188% 2029 0.9 296 237613 4031453 3865822 0-2 10: 361 362 437 363 271 451 438 452 439 364 0.984 27.59 -17.0 95 96 93 98 437 53.0 3.204 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN LQC1-N1010 Sucrose 27.4318 2622.5 2.8 scans 49% 361 m/z 0.42% 0.167% 2029 0.9 286 237774 3597718 3449907 0-2 10: 361 362 437 363 271 451 438 452 439 364 0.929 27.58 -15.7 98 97 91 98 437 53.0 3.433 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9243 2675.1 2.9 scans 86% 73 m/z 0.26% 0.639% 2075 1.2 563 376893 1.84% 13718629 13477427 39448166 1-0 20: 73 161 109 57 205 160 145 214 287 147 286 201 75 127 83 186 517 172 301 312 0.999 27.91 1.7 99 97 99 100 662 25.4 0.204 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0495 2688.4 3.0 scans 64% 161 m/z 0.92% 0.163% 2087 1.1 288 108094 1.52% 3504802 3504802 32587615 0-0 16: 161 109 57 287 205 145 160 201 517 127 301 245 182 574 162 172 0.989 28.03 1.7 97 96 96 99 574 25.9 0.806 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1030 C18:0-2-glycerol 28.6945 2760.3 2.9 scans 84% 341 m/z 0.32% 0.651% 2149 1.0 544 305300 0.973% 13959316 13522491 20860362 1-0 19: 341 189 117 129 145 457 188 103 57 357 342 75 55 131 267 71 458 69 190 0.998 28.67 3.0 92 90 91 94 457 91.2 2.809 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7418 2765.7 2.7 scans 90% TIC 0.063% 0.949% 2153 1.1 713 1564623 1.58% 20361973 18930738 33873969 0-1 1.000 28.19 61.8 88 97 97 99 487 93.0 1.701 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1034 Nonacosane 29.5226 2853.5 2.8 scans 54% 57 m/z 0.81% 0.0743% 2227 1.2 198 122857 1594581 1454005 3-2 18: 57 71 85 99 55 365 56 83 113 97 70 127 84 393 366 141 364 58 0.993 29.50 2.0 96 95 98 97 408 6.2 0.099 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8466 2889.9 3.0 scans 61% 57 m/z 0.58% 0.116% 2258 0.9 232 169571 2505252 2115131 4-4 15: 57 71 85 99 70 56 113 127 84 141 112 72 140 86 155 0.996 29.83 2.2 98 98 99 98 408 14.2 0.376 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1042 C20:0-2-glycerol 30.4096 2956.2 3.0 scans 78% 189 m/z 0.31% 0.744% 2312 1.2 568 320921 0.844% 15953552 14978660 18094702 1-1 16: 189 129 369 117 145 204 485 188 103 131 385 370 55 435 83 486 0.971 30.38 3.3 85 78 73 100 485 87.6 2.378 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4380 2959.6 3.6 scans 49% 193 m/z (189) 0.58% 0.267% 2314 1.0 311 170164 5733120 5240718 2-2 16: 193 119 105 163 120 194 176 91 515 247 106 325 516 164 92 307 0.941 30.36 9.5 87 90 85 89 529 14.0 0.204 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4864 2965.4 3.3 scans 88% TIC 0.15% 0.491% 2319 1.0 474 650376 1.45% 10539829 9830665 31086870 0-2 1.000 30.46 2.8 99 97 99 100 393 106.2 5.022 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2303 3053.7 3.0 scans 85% 57 m/z 0.11% 0.706% 2390 0.8 564 887029 15154522 14789961 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 392 155 394 0.994 31.21 2.2 99 98 99 100 393 86.2 2.332 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1048 Hentriacontane 31.5323 3089.6 3.4 scans 81% TIC 0.11% 0.866% 2418 0.6 565 907098 1.31% 18571823 14936884 28085379 7-1 0.996 31.53 0.1 99 98 99 99 436 32.1 0.323 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6975 3109.2 6.8 scans 22% 204 m/z 1.4% 0.0224% 2434 1.0 122 71320 0.180% 481835 444192 3859060 0-3 13: 204 597 205 217 337 73 103 129 361 598 206 191 362 0.917 31.68 2.6 89 90 83 89 597 16.2 1.759 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8290 3124.8 3.1 scans 71% 502 m/z 0.18% 0.328% 2447 0.8 386 538207 7033955 6774931 1-1 17: 502 237 503 73 236 238 504 277 221 208 223 239 74 505 193 222 278 0.979 31.79 4.4 100 99 96 99 502 190.6 24.321 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9552 3139.8 3.3 scans 56% 329 m/z 1.2% 0.197% 2459 1.1 286 78254 4230013 3790867 1-4 14: 329 129 368 353 458 330 552 121 119 328 369 107 105 145 0.985 31.87 10.4 93 91 95 96 458 42.0 2.153 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1288 3160.4 3.6 scans 73% TIC 0.12% 0.563% 2475 0.9 529 779219 0.948% 12087734 12087734 20324381 0-0 0.995 32.11 2.2 98 96 99 99 421 118.5 5.022 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1004 Campesterol 32.7970 3239.8 3.8 scans 46% 343 m/z 0.50% 0.482% 2539 0.8 427 198815 0.507% 10339832 9893822 10869685 1-1 16: 343 129 382 472 367 95 344 107 121 383 119 145 342 105 473 109 0.869 32.21 69.7 83 96 83 97 472 66.1 2.391 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1046 Stigmasterol 32.9938 3263.2 3.2 scans 83% 83 m/z 0.24% 0.956% 2557 0.7 654 403208 20515490 19737236 1-3 19: 83 129 55 255 69 394 484 81 75 133 159 119 145 105 93 107 95 351 355 0.992 32.98 1.4 93 91 97 97 665 18.6 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1074 3276.6 3.0 scans 72% 57 m/z 0.15% 0.452% 2568 0.9 477 648376 9706055 9706055 0-0 20: 57 71 85 55 99 83 69 97 56 113 70 127 111 84 141 98 155 58 112 72 0.985 33.10 1.2 90 89 98 93 515 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN WTF2-N1034 b-Sitosterol 33.4851 3321.5 3.4 scans 59% 357 m/z 0.63% 0.465% 2604 0.9 410 158705 9983622 8446287 24-2 7: 357 396 486 381 358 356 487 0.989 32.88 72.2 84 97 97 98 486 58.0 2.001 0.608 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5956 3334.6 >5 scans 58% TIC 0.62% 0.285% 2614 1.2 397 159129 2.05% 6123732 6123732 43950402 0-0 0.990 33.57 2.8 97 95 96 99 505 88.6 4.983 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6040 3335.6 3.6 scans 14% 386 m/z (505) 2.6% 0.0994% 2615 1.0 192 38295 2132126 2110570 0-4 6: 386 296 387 371 388 469 0.763 33.58 2.3 85 90 71 92 505 9.2 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6461 3340.6 9.2 scans 53% TIC 0.47% 0.245% 2619 1.1 420 208566 1.38% 5261394 5261394 29586125 0-0 0.992 33.63 2.5 98 97 97 100 505 114.1 7.365 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7166 3349.0 3.6 scans 53% 505 m/z 0.58% 0.331% 2626 1.0 421 170175 1.40% 7106814 7106814 30014909 0-0 20: 505 271 491 361 109 169 506 57 223 103 492 507 289 272 127 71 362 201 83 493 0.952 33.69 2.8 98 97 92 99 505 104.0 6.118 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9071 3371.6 3.2 scans 11% 441 m/z 1.7% 0.0228% 2644 0.9 98 56219 489835 470599 1-1 7: 441 442 646 308 647 443 237 0.945 33.80 13.2 92 93 77 94 646 17.6 3.191 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4721 3438.7 4.2 scans 88% TIC 0.16% 1.88% 2698 1.0 806 610540 4.86% 40439067 39658950 104194613 1-0 0.999 34.52 -5.5 100 99 99 100 505 180.1 4.990 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4721 3438.7 4.2 scans 84% 271 m/z 0.17% 1.91% 2698 1.1 789 582021 4.90% 41083860 37335513 105052181 2-0 20: 271 73 331 505 109 361 241 223 169 506 103 475 127 217 272 201 332 289 199 243 0.999 34.59 -13.9 100 98 98 100 596 0.0 0.000 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6005 3454.0 3.8 scans 3.6% 596 m/z 1.0% 0.0379% 2710 0.9 119 94494 0.0383% 813322 776788 821122 0-1 7: 596 597 598 316 599 300 268 0.916 34.47 15.3 94 95 68 95 596 79.9 45.341 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN EXBLK5S-N1006 Contamination 6.3646 1047.9 2.3 scans 78% 207 m/z 0.57% 0.0515% 26 1.2 186 174242 1266951 1219011 0-9 16: 207 73 295 208 209 296 191 297 279 74 193 133 189 177 210 247 0.989 6.63 -15.4 98 97 87 98 295 56.7 9.245 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BRA4_R~4-N1014 Lactic acid 6.7950 1073.4 >6 scans 32% 117 m/z (131) 6.1% 0.0163% 68 0.5 69 16325 0.0315% 401712 375999 774598 0-1 8: 117 147 66 191 190 118 71 148 0.950 6.82 -1.5 81 80 71 94 295 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1192 Contamination 7.9398 1141.2 2.3 scans 96% 147 m/z 0.099% 0.497% 176 1.0 568 1005294 12243047 11850568 1-1 20: 147 73 133 220 235 148 146 59 72 86 74 160 89 100 103 75 149 131 134 236 0.995 7.99 -3.0 99 98 97 99 235 117.5 4.283 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1026 Cadaverine NC 8.1207 1152.0 2.4 scans 74% 174 m/z 1.9% 0.0146% 193 1.0 94 51172 359242 343648 1-2 11: 174 175 216 86 142 100 59 176 113 130 217 0.980 7.74 22.8 94 93 86 96 216 22.4 5.726 0.385 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1188 Contamination 8.3007 1162.6 2.3 scans 58% 281 m/z 3.6% 0.00925% 210 1.1 78 27179 227590 220850 1-1 11: 281 147 369 282 283 370 148 371 207 265 249 0.772 8.41 -6.8 95 94 88 95 369 25.1 10.198 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1186 Phosphate 8.4732 1172.9 2.3 scans 91% 241 m/z 0.44% 0.0557% 227 1.3 192 226457 1371593 1368943 0-1 19: 241 242 133 211 256 163 243 195 135 98 59 89 164 137 119 181 134 121 257 0.996 8.56 -5.1 99 99 96 99 299 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1180 Benzoic acid 9.6538 1242.3 2.5 scans 50% 179 m/z 5.1% 0.00625% 339 1.1 61 19355 0.00632% 153858 147386 155411 1-1 6: 179 105 135 180 194 51 1.000 9.76 -6.2 95 95 88 95 194 9.9 2.627 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN VEN77_S6-N1002 Glycerol 10.0084 1263.0 4.3 scans 89% 299 m/z 0.019% 2.32% 373 0.5 933 5057922 57285730 57273679 0-1 20: 299 300 314 301 133 283 207 315 211 193 191 316 135 74 225 115 284 119 134 137 0.966 10.09 -5.0 100 99 98 99 299 569.0 37.314 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LACTIC~1-N1034 Glycerol 10.0210 1263.8 2.3 scans 15% 205 m/z (299) 0.23% 0.204% 374 0.5 336 422660 5030951 5014614 2-0 19: 205 147 117 218 103 206 204 148 129 219 101 203 175 217 293 220 118 294 130 0.663 10.11 -5.2 89 96 59 95 293 26.8 0.636 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6523 1300.7 2.9 scans 89% TIC 1.0% 0.103% 434 1.2 237 99318 2550140 2544151 1-0 0.981 10.73 -4.9 87 81 72 99 209 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1168 Glyceric acid 10.9322 1317.6 >4 scans 66% TIC 4.6% 0.0103% 461 1.1 81 21569 0.138% 253671 253671 3393477 0-0 0.937 11.05 -7.3 91 91 86 92 292 24.1 8.798 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9859 1320.8 2.5 scans 93% 184 m/z 0.46% 0.133% 466 1.0 273 214303 3274503 3151067 6-0 20: 184 134 285 73 174 77 86 100 59 185 227 286 172 135 186 130 175 69 178 287 0.994 11.06 -4.7 98 96 94 99 285 80.9 8.773 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3657 1343.7 2.8 scans 19% 57 m/z (84) 0.35% 0.126% 502 0.9 252 283973 3116177 2831576 4-2 20: 57 97 115 145 127 69 129 56 59 111 128 109 58 72 71 87 98 201 114 113 0.948 11.45 -4.8 96 99 96 99 145 74.9 8.873 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3773 1344.4 3.0 scans 86% TIC 0.050% 0.717% 503 0.8 600 1983456 0.747% 17653557 16478166 18369036 2-2 0.893 10.96 25.4 97 97 96 99 161 155.8 6.732 0.421 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1146 Malic acid 13.4459 1472.1 2.6 scans 94% 73 m/z 0.28% 0.158% 699 1.1 302 352812 3899125 3871265 2-0 20: 73 147 233 245 133 148 190 189 75 74 335 175 149 191 101 234 55 59 217 117 1.000 13.62 -10.7 98 97 97 97 350 0.0 0.000 -0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5560 1544.2 2.5 scans 54% 292 m/z 4.5% 0.00928% 805 1.0 76 21961 228404 228404 0-0 9: 292 205 220 293 103 294 148 206 149 0.985 14.69 -9.0 85 85 78 86 409 0.0 0.000 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6559 1550.9 2.8 scans 93% 174 m/z 0.18% 0.180% 814 1.1 306 554377 0.190% 4445271 4445271 4672178 0-0 20: 174 73 175 86 176 250 100 59 91 130 74 251 117 177 162 131 87 121 65 144 0.998 14.16 32.6 91 91 89 97 250 58.0 3.584 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1044 Dodecanol 14.7106 1554.5 2.7 scans 94% TIC 0.39% 0.0989% 820 0.9 230 251718 0.315% 2433125 2403116 7745979 0-1 0.999 14.24 31.1 97 98 98 99 243 126.9 30.527 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1599 1584.3 2.6 scans 68% 342 m/z 2.1% 0.0195% 862 1.1 105 46690 480269 480269 0-1 8: 342 239 343 344 240 327 241 149 0.943 14.37 52.1 81 89 79 89 342 54.7 27.255 0.786 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1721 1653.8 3.1 scans 82% TIC 0.36% 0.114% 959 0.9 208 276379 0.195% 2815651 2815651 4795130 0-0 0.973 16.28 -7.3 100 99 97 99 392 30.3 2.112 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5309 1678.7 2.8 scans 94% 55 m/z 0.30% 0.228% 993 1.1 338 325286 0.245% 5621709 5090436 6024650 4-4 20: 55 69 73 83 70 97 56 57 84 111 82 127 113 98 68 71 96 140 85 67 0.999 16.63 -6.7 99 98 98 98 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1010 Glycerol-P 17.4506 1744.8 2.6 scans 94% 357 m/z 0.15% 0.569% 1080 1.0 582 644777 13999514 13392428 2-2 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 387 256 129 131 218 0.993 16.97 35.3 96 99 98 99 445 92.2 2.510 0.483 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4070 1815.3 3.9 scans 96% TIC 0.027% 4.40% 1171 0.5 1303 3647861 108226781 103956821 1-2 0.993 17.91 37.1 96 99 98 99 327 125.5 0.930 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1012 Phytol 18.5322 1824.8 2.7 scans 97% 68 m/z 0.19% 0.627% 1183 0.8 591 519756 15419446 15104161 1-1 20: 68 95 82 57 55 69 123 81 83 67 97 71 96 124 109 111 56 79 53 70 0.999 18.04 36.7 95 98 99 99 278 33.9 0.328 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1016 Hexadecene 18.6048 1830.3 2.7 scans 83% 70 m/z 0.92% 0.0841% 1190 1.2 213 108105 0.580% 2068121 1981739 14262438 0-1 20: 70 69 55 57 71 56 83 111 125 126 97 280 84 85 140 67 112 98 68 82 0.993 18.10 37.9 82 81 91 97 280 31.7 2.219 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6343 1832.6 2.7 scans 58% 285 m/z 3.1% 0.0215% 1193 0.9 108 32197 530869 527632 1-0 14: 285 117 132 286 145 118 300 287 201 61 116 241 130 257 0.990 18.73 -7.1 92 92 79 93 300 11.6 1.143 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1076 Pregnane?? 18.7553 1841.8 2.7 scans 71% 345 m/z 1.6% 0.0351% 1204 1.1 145 62148 863520 862596 0-1 16: 345 346 147 255 347 334 256 148 372 435 419 257 243 143 231 215 0.903 18.86 -7.9 86 86 76 86 537 6.7 0.211 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1002 Phytol 18.8min 18.8363 1848.0 2.7 scans 87% 81 m/z 1.2% 0.105% 1212 1.0 243 81334 2590996 2389374 1-3 20: 81 82 68 95 123 57 69 55 83 67 79 71 96 124 97 109 53 278 56 111 0.986 18.84 -0.3 96 96 98 96 278 28.3 1.355 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9300 1855.1 2.7 scans 76% TIC 1.3% 0.0377% 1221 1.0 147 71507 0.162% 927323 810971 3983646 0-3 1.000 18.40 40.1 92 96 94 97 364 14.0 0.910 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1018 Fructose 18.9310 1855.2 2.8 scans 74% 73 m/z 1.4% 0.0385% 1221 1.0 145 69421 0.0599% 947697 847581 1472966 3-3 20: 73 103 307 217 308 309 277 133 104 189 172 205 89 74 117 148 191 278 105 131 0.994 18.52 30.9 92 93 93 95 364 14.0 0.938 0.406 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0794 1866.5 2.8 scans 92% 81 m/z 0.57% 0.232% 1235 0.9 353 175297 5714343 5507154 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 71 97 96 109 124 278 53 111 56 0.999 18.58 38.1 93 96 98 99 278 48.5 1.882 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1068 Galactopyranose 19.1993 1875.7 >3 scans 58% TIC 1.9% 0.00951% 1246 1.6 99 51145 0.332% 233869 233869 8164016 0-0 0.975 19.32 -8.8 85 85 85 85 435 0.0 0.000 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1064 Mannose 19.2498 1879.5 2.7 scans 88% TIC 0.38% 0.154% 1251 1.1 305 260220 0.420% 3810968 3810968 10327972 0-0 0.988 19.45 -15.7 96 96 94 96 319 112.0 13.456 -0.205 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9022 1930.9 2.7 scans 86% 204 m/z (332) 0.30% 0.138% 1313 1.1 273 325405 3415033 3019641 3-2 15: 204 217 159 205 147 206 129 218 103 191 189 160 219 305 207 0.997 19.91 -0.8 94 94 95 99 361 12.9 0.225 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2631 1959.9 2.7 scans 63% 204 m/z 1.3% 0.0303% 1347 1.1 130 75070 747021 720548 0-5 15: 204 191 205 147 217 192 206 189 193 218 103 219 148 207 435 0.991 20.41 -12.1 90 89 89 89 217 30.0 5.309 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7744 2001.0 2.9 scans 93% TIC 0.39% 0.372% 1396 1.1 444 254553 0.519% 9170038 9029461 12762423 1-2 0.994 20.27 40.8 84 85 94 98 322 29.8 0.451 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1038 C16:0 21.1343 2031.3 3.1 scans 97% 313 m/z 0.038% 2.56% 1430 0.5 1101 2629577 63042007 62185450 0-1 20: 313 117 73 75 132 129 145 314 55 328 131 118 133 57 69 315 74 201 269 116 1.000 20.62 43.0 95 99 99 100 328 125.1 1.292 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6478 2074.4 2.8 scans 60% 305 m/z (73) 2.0% 0.0480% 1479 1.0 159 49037 1182149 1098824 3-1 19: 305 217 318 147 191 306 265 319 218 307 432 320 192 291 367 433 219 266 148 0.983 21.75 -8.5 91 93 89 93 507 9.8 0.383 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9477 2099.6 3.1 scans 70% TIC 1.8% 0.0580% 1507 0.9 165 54495 0.130% 1428020 1318260 3196753 1-1 0.961 22.33 -33.4 94 97 94 97 342 20.8 1.575 -0.382 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3801 2137.4 3.0 scans 23% 204 m/z 4.6% 0.00643% 1549 0.9 56 21403 158272 137549 1-1 5: 204 249 205 206 218 0.818 22.71 -29.1 83 86 61 88 518 0.0 0.000 -0.334 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1040 Phytol 22.6032 2156.9 3.0 scans 81% 143 m/z 0.22% 0.145% 1570 1.0 268 442039 3569813 3307154 1-7 14: 143 73 75 144 123 81 124 145 95 103 82 96 68 74 0.981 22.08 45.4 81 84 90 95 181 0.0 0.000 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1042 C18:2 23.0240 2193.6 5.4 scans 81% 73 m/z (299) 0.20% 1.04% 1610 1.3 534 485837 4.89% 25760023 23660627 120247104 3-0 20: 73 129 74 387 126 181 213 156 229 432 192 142 371 134 383 434 59 400 424 98 0.978 22.53 42.8 87 94 93 98 352 31.3 0.343 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1440 2204.3 4.3 scans 92% 75 m/z 0.049% 5.27% 1621 0.3 1328 2006245 5.93% 129740247 114664558 145821130 0-11 20: 75 73 79 95 67 93 129 108 117 81 55 80 91 107 94 121 145 77 149 135 0.986 23.12 2.5 99 99 99 99 350 94.0 0.501 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1036 C18:0 23.3934 2227.1 2.7 scans 91% 341 m/z 0.13% 0.683% 1645 0.9 615 760232 16796433 15592665 3-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 116 297 0.999 22.89 45.3 94 99 99 99 356 79.1 1.657 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7017 2255.3 2.9 scans 42% 163 m/z 0.52% 0.0657% 1674 1.0 187 189078 1615982 1589288 2-2 9: 163 331 164 165 88 332 90 162 179 0.849 23.72 -1.6 94 94 82 96 331 42.1 5.083 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1362 2295.0 3.4 scans 40% 204 m/z (333) 0.81% 0.0555% 1715 0.9 150 122501 0.0671% 1364967 1256143 1650016 0-4 19: 204 217 337 205 147 103 206 338 219 218 361 191 101 148 203 189 339 243 362 0.983 24.01 11.5 90 92 85 93 490 0.0 0.000 0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1362 2295.0 3.4 scans 38% 204 m/z 0.82% 0.0472% 1715 0.9 147 121857 0.0572% 1162251 1069589 1406571 0-4 19: 204 217 337 205 147 103 206 338 219 218 361 191 101 148 203 189 339 243 362 0.663 24.18 -4.1 89 91 72 92 581 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1018 myo-Inositol 25.2095 2396.8 4.3 scans 50% TIC 1.7% 0.0427% 1817 1.3 153 55769 0.208% 1052210 1052210 5114805 0-0 0.889 25.21 0.0 92 91 84 94 470 9.7 0.406 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6188 2437.2 3.4 scans 49% 91 m/z 0.76% 0.0483% 1856 1.3 143 131022 1187821 1097700 2-4 16: 91 117 194 207 92 208 115 312 193 65 104 118 51 195 178 63 0.988 25.61 0.9 96 96 95 95 312 17.5 1.492 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5531 2531.0 3.4 scans 61% TIC 0.38% 0.189% 1945 1.7 326 261452 0.503% 4652171 4652171 12368976 0-0 0.939 26.57 -2.1 99 98 92 99 512 106.6 10.697 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9214 2569.0 2.8 scans 86% 371 m/z 0.061% 0.893% 1980 0.8 708 1618881 21964427 21560605 1-1 19: 371 372 147 57 129 205 203 239 373 459 55 71 103 116 145 75 101 117 85 1.000 26.39 54.4 91 98 98 100 459 89.0 1.581 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1014 Sucrose 27.4107 2620.2 3.0 scans 28% 361 m/z 0.88% 0.0714% 2027 1.0 184 113352 1757905 1447429 0-21 12: 361 362 437 363 451 271 438 439 452 364 272 453 0.906 27.49 -8.5 97 97 86 97 437 35.5 3.715 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN LQC1-N1010 Sucrose 27.4149 2620.7 5.2 scans 30% TIC 0.94% 0.0367% 2027 1.4 191 105677 0.181% 902704 902704 4450864 0-0 0.753 27.58 -17.5 94 95 86 97 437 33.9 3.155 -0.164 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9062 2673.1 2.9 scans 86% 73 m/z 0.27% 0.510% 2074 1.1 537 361521 1.27% 12559200 12559200 31229820 0-0 20: 73 161 109 57 160 205 145 287 214 147 286 201 127 75 83 517 186 172 301 312 0.997 27.91 -0.3 99 98 99 100 662 23.8 0.196 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0315 2686.5 2.9 scans 56% 161 m/z 1.0% 0.121% 2086 0.9 263 91284 1.16% 2984142 2984142 28524875 0-0 16: 161 109 57 287 145 205 160 517 201 182 172 127 162 574 245 301 0.970 28.03 -0.2 96 95 92 98 574 22.8 0.753 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.3913 2726.2 2.8 scans 31% 399 m/z 1.3% 0.0411% 2120 0.9 150 75979 1012717 1012717 0-1 7: 399 400 487 401 488 429 188 0.838 28.19 22.3 93 94 80 94 487 21.3 2.023 0.198 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.6733 2758.0 3.0 scans 84% TIC 0.43% 0.399% 2147 1.1 471 229980 0.851% 9832792 9832792 20926439 0-0 0.997 28.67 0.7 92 90 91 94 457 75.8 2.585 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1034 Nonacosane 29.5024 2851.2 2.9 scans 45% 57 m/z (204) 0.95% 0.0727% 2225 1.1 180 104691 0.0767% 1789326 1554959 1886084 4-8 18: 57 71 85 365 99 55 56 83 113 70 366 127 393 141 86 364 58 84 0.973 29.50 -0.3 94 96 97 96 408 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8255 2887.6 2.9 scans 54% 57 m/z 0.64% 0.0909% 2256 0.9 219 155779 2236944 1899984 5-9 15: 57 71 85 99 56 113 70 127 84 141 155 72 86 112 98 0.990 29.83 -0.1 98 98 99 98 408 14.2 0.422 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1042 C20:0-2-glycerol 30.3852 2953.4 2.9 scans 78% 189 m/z 0.42% 0.473% 2309 1.1 486 236735 11645916 11026551 1-2 14: 189 129 369 117 145 188 485 103 131 370 385 486 190 295 0.968 30.38 0.5 81 72 70 100 485 71.9 2.184 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4178 2957.2 3.2 scans 44% 193 m/z (57 189) 0.97% 0.140% 2312 0.9 240 102240 3447052 3022991 2-2 16: 193 119 105 163 120 194 176 91 515 247 106 325 516 164 307 529 0.940 30.36 7.1 82 87 83 88 529 10.6 0.194 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4641 2962.7 3.0 scans 83% TIC 0.16% 0.332% 2317 1.0 437 589571 0.902% 8168643 7125671 22180550 0-2 0.999 30.46 0.1 99 97 99 100 393 100.3 5.277 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2091 3051.2 2.8 scans 80% 57 m/z 0.12% 0.508% 2388 0.8 528 807195 0.562% 12505272 12047742 13819810 1-2 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 84 141 155 421 394 392 0.990 31.21 -0.3 99 97 99 100 393 80.0 2.298 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1048 Hentriacontane 31.5111 3087.1 3.4 scans 75% TIC 0.12% 0.681% 2416 0.5 517 788173 0.696% 16757656 13055379 17114925 7-2 0.996 31.53 -2.4 99 99 99 99 436 29.3 0.321 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6773 3106.8 3.8 scans 21% 204 m/z 1.1% 0.0216% 2432 1.3 133 87939 0.166% 533498 474386 4082008 0-2 13: 204 337 205 103 597 73 599 598 217 206 191 361 147 0.891 31.68 0.2 90 92 84 91 597 16.9 1.624 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8057 3122.1 2.9 scans 61% 502 m/z 0.21% 0.226% 2444 0.9 342 461833 5566334 5308947 1-0 16: 502 237 503 73 236 238 504 277 221 223 239 208 74 505 262 275 0.977 31.79 1.7 100 99 95 99 502 171.9 25.293 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9362 3137.5 2.9 scans 44% 329 m/z 1.3% 0.136% 2457 0.9 260 72171 3362351 3247674 1-1 10: 329 368 458 353 330 328 369 255 459 354 0.970 31.87 8.1 95 94 94 96 458 40.0 2.361 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1066 3157.8 2.9 scans 56% 57 m/z 0.14% 0.401% 2473 0.9 476 680308 0.439% 9866206 9492569 10795190 3-1 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 127 111 141 84 58 393 0.991 32.11 -0.4 98 96 99 99 421 111.6 5.490 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1004 Campesterol 32.7758 3237.3 3.6 scans 37% 343 m/z (57) 0.63% 0.348% 2537 0.7 369 158380 8558014 7818680 0-2 16: 343 382 472 367 344 383 342 107 121 105 119 145 473 159 255 457 0.937 32.21 67.2 82 95 82 96 472 59.0 2.558 0.566 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1046 Stigmasterol 32.9715 3260.5 3.1 scans 75% 83 m/z 0.29% 0.614% 2555 0.9 585 337821 15111899 15111899 0-0 19: 83 129 55 255 484 69 394 81 75 159 133 105 119 145 93 107 355 351 95 0.989 32.98 -1.3 93 91 97 97 665 18.5 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.0862 3274.1 3.1 scans 59% 57 m/z 0.19% 0.319% 2566 0.9 421 517317 7853840 7641557 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 112 155 58 72 0.965 33.10 -1.3 81 76 96 93 515 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN WTF2-N1034 b-Sitosterol 33.4618 3318.7 3.3 scans 45% 357 m/z 0.75% 0.285% 2602 0.9 359 131918 7024177 6878040 1-1 7: 357 396 486 381 358 356 487 0.979 32.88 69.4 84 96 95 98 486 52.0 2.095 0.585 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5786 3332.6 3.4 scans 11% 386 m/z (505) 3.0% 0.0685% 2613 1.2 171 32348 0.123% 1684993 1569653 3024620 5-0 8: 386 296 387 371 394 388 469 372 0.784 33.58 -0.7 83 88 73 92 505 8.5 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6239 3338.0 4.6 scans 41% 505 m/z 0.60% 0.182% 2617 1.3 365 164852 0.993% 4494293 4494293 24418277 0-0 19: 505 491 271 73 361 169 506 109 492 223 103 507 201 289 272 127 493 362 243 0.982 33.63 -0.1 98 98 97 100 505 100.8 7.647 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6923 3346.1 3.6 scans 46% 505 m/z 0.61% 0.269% 2624 1.0 396 163438 1.18% 6621784 6621784 29016683 0-0 16: 505 271 491 361 109 169 506 223 492 507 289 272 127 201 362 493 0.977 33.69 -0.1 98 97 94 99 505 102.3 6.661 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8827 3368.7 3.4 scans 5.8% 441 m/z 2.6% 0.0128% 2642 1.0 76 37608 315753 299485 1-1 6: 441 442 646 308 647 443 0.914 33.80 10.3 91 93 75 93 646 15.2 4.012 0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4436 3435.3 3.8 scans 83% 271 m/z 0.17% 1.41% 2695 0.9 749 566934 3.88% 34703345 33444371 95410790 1-0 20: 271 505 73 331 109 361 241 506 169 223 475 127 103 201 272 217 243 199 332 289 0.998 34.59 -17.3 100 98 98 100 596 0.0 0.000 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP5.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5151 3443.8 4.1 scans 72% 271 m/z 0.17% 1.11% 2702 0.8 767 572304 3.27% 27533914 27533914 80410640 0-0 20: 271 505 331 73 109 361 241 169 223 506 475 103 127 272 217 201 332 199 289 243 0.998 34.52 -0.4 100 99 99 100 505 175.0 5.206 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN EXBLK5S-N1006 Contamination 6.3648 1047.9 2.3 scans 80% 207 m/z 0.56% 0.0618% 26 1.2 188 178625 1349913 1254932 0-8 18: 207 73 295 208 209 296 191 297 74 279 193 189 83 133 84 177 210 192 0.999 6.63 -15.4 97 96 89 97 295 57.7 9.406 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1192 Contamination 7.9399 1141.3 2.3 scans 97% 147 m/z 0.099% 0.544% 176 1.0 562 1012350 11886698 11676325 1-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.996 7.99 -2.9 99 98 97 99 235 114.9 4.175 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1026 Cadaverine NC 8.1219 1152.0 2.4 scans 72% 174 m/z 2.2% 0.0147% 193 1.1 87 45310 321107 306237 1-2 12: 174 175 216 86 142 160 176 100 59 130 113 217 0.984 7.74 22.8 93 92 84 95 216 21.6 6.124 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1188 Contamination 8.3029 1162.8 2.3 scans 71% 281 m/z 2.2% 0.0218% 211 1.0 112 44072 477303 461713 1-2 14: 281 147 369 282 283 370 265 207 371 249 191 149 266 284 0.959 8.41 -6.6 97 96 79 98 369 33.2 8.779 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1186 Phosphate 8.4734 1172.9 2.2 scans 90% 241 m/z 0.52% 0.0528% 227 1.2 176 191636 1152335 1150596 0-1 19: 241 242 133 211 243 163 256 135 195 59 98 89 121 181 137 119 164 257 212 0.993 8.56 -5.1 99 98 96 99 299 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1180 Benzoic acid 9.6539 1242.3 2.5 scans 51% 179 m/z 4.4% 0.00900% 339 1.0 68 22703 0.00998% 196464 171636 217726 2-4 7: 179 105 135 77 180 51 194 1.000 9.76 -6.2 96 96 89 96 194 10.2 2.250 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN VEN77_S6-N1002 Glycerol 10.0064 1262.9 4.0 scans 85% 299 m/z 0.021% 2.31% 373 0.5 883 4640967 50397494 49604182 1-0 20: 299 300 314 301 283 207 315 211 193 316 135 302 225 115 284 181 189 208 137 195 0.970 10.09 -5.1 100 99 98 99 299 540.7 37.665 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LACTIC~1-N1034 Glycerol 10.0222 1263.9 2.3 scans 35% 205 m/z (299) 0.13% 0.445% 374 0.7 476 741268 9729154 9615634 2-0 18: 205 147 117 103 218 206 148 204 129 149 219 101 203 175 217 118 293 220 0.899 10.11 -5.1 91 96 87 97 293 32.7 0.472 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6525 1300.8 2.7 scans 46% 199 m/z (73) 0.93% 0.0650% 434 1.1 177 107926 1418506 1329408 1-1 19: 199 75 117 55 145 132 57 200 84 129 131 67 81 74 76 79 125 118 61 0.889 10.73 -4.8 91 94 72 95 209 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1168 Glyceric acid 10.9324 1317.6 2.6 scans 71% 73 m/z 2.8% 0.0205% 461 1.0 105 35466 0.0290% 448944 433015 632671 3-0 20: 73 147 292 189 103 133 205 293 102 190 307 148 294 117 74 149 101 191 59 217 0.995 11.05 -7.3 95 94 91 95 292 32.5 9.657 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9839 1320.7 2.6 scans 78% 184 m/z 2.3% 0.0271% 465 0.9 117 42470 0.0372% 592921 561146 811564 0-1 20: 184 134 285 174 73 77 86 100 227 185 286 59 130 172 135 186 110 175 74 178 0.991 11.06 -4.8 98 97 94 98 285 35.9 9.399 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1162 Fumaric acid 11.2617 1337.4 2.6 scans 46% TIC 9.3% 0.00192% 492 0.8 43 10758 0.449% 42070 41027 9795492 2-0 0.960 11.39 -7.9 83 85 66 85 245 26.0 36.636 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3680 1343.8 2.7 scans 23% 57 m/z 0.34% 0.148% 502 0.9 262 288235 3235380 2931006 4-1 20: 57 115 97 145 127 69 129 56 59 128 111 58 109 72 71 146 98 87 114 201 0.284 11.45 -4.7 96 97 95 99 145 77.8 8.804 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3774 1344.4 3.0 scans 84% TIC 0.057% 0.717% 503 0.9 559 1747712 0.757% 15663548 14505913 16514894 4-0 0.873 10.96 25.4 97 97 96 99 161 144.8 6.718 0.421 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1146 Malic acid 13.4492 1472.3 2.5 scans 96% 73 m/z 0.16% 0.303% 700 1.0 401 625630 6619819 6608248 1-0 20: 73 147 233 245 133 189 148 190 75 74 191 335 175 101 149 55 234 217 265 59 1.000 13.62 -10.5 100 99 98 99 350 9.6 0.058 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5572 1544.3 2.7 scans 58% 73 m/z 3.1% 0.0175% 805 0.8 94 32076 0.0187% 383410 344105 407964 1-1 18: 73 292 147 220 205 293 217 103 206 148 294 319 149 133 74 130 131 207 0.962 14.62 -4.3 90 91 84 90 409 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6592 1551.1 2.7 scans 94% TIC 0.18% 0.196% 815 1.3 305 555436 0.299% 4283590 3976240 6523056 3-0 0.998 14.16 32.8 91 91 90 97 250 58.2 3.643 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1044 Dodecanol 14.7129 1554.6 2.7 scans 93% TIC 0.37% 0.106% 820 1.1 235 265618 0.354% 2313100 2230648 7722949 0-1 1.000 14.24 31.2 97 99 98 99 243 129.4 30.306 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1653 1584.6 3.1 scans 64% TIC 2.1% 0.0141% 863 0.8 104 46328 0.0585% 307878 307878 1276250 0-0 0.940 14.37 52.4 81 89 80 90 342 54.0 26.865 0.791 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1754 1654.1 3.2 scans 85% TIC 0.33% 0.126% 959 1.0 216 304880 0.205% 2750258 2750258 4472329 0-0 0.983 16.28 -7.0 100 99 97 99 392 31.1 2.089 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 2.8 scans 92% 55 m/z 0.29% 0.261% 993 1.2 342 342761 0.282% 5713070 4844024 6152180 9-4 20: 55 69 73 83 70 56 97 57 84 111 82 113 127 98 68 71 140 67 54 96 0.999 16.63 -6.4 99 98 98 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1010 Glycerol-P 17.4539 1745.0 2.7 scans 92% 357 m/z 0.19% 0.555% 1080 1.2 519 521022 12129151 11791473 2-1 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 301 387 133 129 256 446 218 0.974 16.97 35.5 96 99 97 99 445 82.3 2.518 0.486 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4093 1815.4 4.0 scans 91% 73 m/z 0.028% 4.56% 1171 0.5 1229 3520105 99515250 98402969 0-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 66 133 213 90 121 77 117 0.936 17.91 37.2 95 99 93 98 327 121.7 0.981 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1012 Phytol 18.5345 1825.0 2.8 scans 95% 68 m/z 0.22% 0.648% 1183 0.9 552 452555 0.717% 14156892 13124088 15642244 2-2 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 36.9 95 98 99 99 278 32.2 0.341 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1016 Hexadecene 18.6071 1830.5 3.3 scans 80% TIC 1.0% 0.109% 1190 1.7 203 96772 4.77% 2384808 2251249 104063466 0-2 0.983 18.10 38.1 84 85 91 97 280 29.5 2.106 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.6 scans 60% 285 m/z (70) 2.7% 0.0258% 1193 0.9 114 36640 564498 547646 2-1 13: 285 117 132 286 145 300 118 287 116 241 61 257 201 0.968 18.73 -6.9 92 94 84 94 300 12.1 1.128 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1076 Pregnane?? 18.7565 1841.9 2.6 scans 86% 345 m/z 0.91% 0.0783% 1204 1.1 204 109654 1710225 1708629 0-1 20: 345 73 346 255 147 347 334 256 148 74 435 257 133 239 372 243 419 348 149 537 0.998 18.86 -7.8 94 93 88 94 537 11.4 0.316 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8396 1848.3 2.7 scans 87% 82 m/z 1.2% 0.107% 1212 1.1 233 78220 2334575 2198305 1-2 20: 82 81 68 95 123 57 55 69 67 83 96 79 124 71 109 97 278 110 53 56 0.982 18.58 19.9 97 95 98 99 278 27.2 1.363 0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9311 1855.2 2.6 scans 82% 73 m/z 1.0% 0.0591% 1221 0.9 175 100594 0.0611% 1291416 1237705 1332972 2-2 20: 73 103 307 217 147 308 277 218 133 309 104 205 189 364 74 89 117 219 148 172 0.997 18.40 40.2 93 97 96 98 364 17.6 1.014 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1018 Fructose 19.0490 1864.2 2.9 scans 60% 73 m/z 1.3% 0.0484% 1232 1.2 146 74489 1057220 896210 1-4 19: 73 307 103 217 147 308 277 218 309 262 205 104 74 89 364 219 148 117 133 0.966 18.52 39.9 91 95 92 97 364 15.3 1.098 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1068 Galactopyranose 19.2016 1875.9 >3 scans 77% TIC 0.77% 0.0511% 1246 1.0 170 130857 0.674% 1115438 975249 14704146 4-0 0.999 19.32 -8.6 93 92 91 93 435 11.0 0.419 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1064 Mannose 19.2521 1879.7 2.6 scans 92% 73 m/z 0.18% 0.391% 1251 1.0 436 532565 0.423% 8538074 8538074 9228270 0-0 20: 73 319 205 147 160 320 217 103 206 321 117 74 133 229 148 157 207 129 189 161 0.998 19.45 -15.5 97 96 97 96 319 158.1 13.177 -0.203 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1062 Glucose 19.4930 1898.1 3.4 scans 74% 73 m/z 0.65% 0.128% 1274 1.0 228 153862 0.161% 2804035 2668767 3512415 3-1 19: 73 147 117 133 89 74 161 148 157 191 59 100 230 162 131 105 203 134 234 0.871 19.66 -13.0 82 82 72 83 319 62.8 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BRA4_R~2-N1004 Galactose 19.5004 1898.7 2.8 scans 60% 319 m/z 0.70% 0.0747% 1275 0.9 190 143474 1631801 1631801 0-0 14: 319 160 320 217 321 229 233 277 307 72 322 104 235 305 0.681 19.36 10.6 89 93 60 90 364 7.2 0.000 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9044 1931.1 2.7 scans 82% 204 m/z 0.35% 0.127% 1313 1.1 245 281672 2786542 2586635 3-2 15: 204 217 205 159 147 206 129 218 103 191 189 148 219 160 305 1.000 19.91 -0.6 97 96 96 99 361 11.6 0.223 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2674 1960.2 2.6 scans 83% 204 m/z 0.41% 0.109% 1348 1.0 237 241574 0.110% 2383587 2276492 2399786 1-1 20: 204 73 191 147 205 217 192 206 189 218 193 129 74 103 148 133 117 219 435 203 0.992 20.41 -11.8 96 95 94 95 217 53.3 5.059 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7757 2001.1 2.9 scans 91% TIC 0.45% 0.374% 1396 1.2 414 223289 0.498% 8165170 7505272 10864488 2-1 0.989 20.27 40.9 84 85 94 98 322 28.8 0.483 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1038 C16:0 21.1397 2031.7 3.1 scans 96% 313 m/z 0.038% 2.79% 1431 0.5 1083 2646112 60980211 57147598 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 57 118 69 201 315 74 269 116 1.000 20.62 43.4 94 99 99 100 328 123.8 1.306 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6511 2074.7 2.8 scans 69% 305 m/z 1.0% 0.0976% 1479 1.0 215 94889 2130730 2122104 2-0 19: 305 217 318 147 191 306 265 319 218 204 307 432 367 87 433 320 291 148 192 0.992 21.75 -8.2 96 96 92 96 507 14.8 0.471 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9510 2099.9 3.0 scans 71% TIC 1.6% 0.0655% 1508 0.6 168 62641 0.137% 1429202 1214251 2988825 0-2 0.969 22.33 -33.1 94 97 94 97 342 21.9 1.690 -0.379 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1040 Phytol 22.6054 2157.1 2.9 scans 77% 143 m/z 0.28% 0.125% 1570 1.1 237 356036 2737781 2329366 2-8 14: 143 73 144 75 123 81 124 145 95 82 74 213 96 68 0.979 22.08 45.6 82 84 90 95 181 0.0 0.000 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.9716 2189.0 2.7 scans 20% 204 m/z (341 299) 2.4% 0.0142% 1605 1.3 79 40767 0.0476% 311135 299210 1038453 1-0 5: 204 249 205 206 250 0.929 22.71 22.5 84 89 77 89 518 0.0 0.000 0.258 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1042 C18:2 23.0442 2195.4 4.5 scans 73% 337 m/z (299 341) 0.45% 0.688% 1612 1.2 438 220734 4.22% 15028500 14159674 92064534 5-0 19: 337 67 81 262 95 338 82 96 68 54 79 150 220 110 80 178 135 94 121 0.994 22.53 44.6 86 95 95 98 352 30.0 0.470 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1484 2204.7 4.1 scans 91% 75 m/z 0.054% 5.04% 1621 0.3 1261 1841912 5.77% 110007972 105079434 125879706 0-5 20: 75 73 79 95 67 93 335 108 81 80 91 107 94 121 77 135 149 109 122 105 0.986 23.12 2.9 99 99 99 99 350 89.6 0.505 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1036 C18:0 23.3967 2227.4 2.7 scans 91% 341 m/z 0.12% 0.787% 1645 1.0 619 795952 17174787 15363475 4-4 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 69 343 74 201 297 130 1.000 22.89 45.6 93 99 99 99 356 80.8 1.704 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7060 2255.7 2.9 scans 40% 163 m/z 0.63% 0.0685% 1674 1.1 169 157971 1495837 1347961 2-5 11: 163 331 164 165 161 332 88 178 90 162 60 0.848 23.72 -1.2 93 94 82 96 331 38.7 5.218 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1395 2295.3 3.3 scans 31% 204 m/z (333) 0.78% 0.0540% 1716 0.9 143 128769 0.0666% 1178417 1094601 1452962 1-4 20: 204 205 217 337 147 103 206 338 218 219 191 361 148 101 339 189 203 243 291 362 0.881 24.01 11.8 87 89 71 91 490 0.0 0.000 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1395 2295.3 3.3 scans 40% 204 m/z 0.80% 0.0641% 1716 0.9 162 125528 0.0791% 1399994 1300419 1725665 1-4 20: 204 205 217 337 147 103 206 338 218 219 191 361 148 101 339 189 203 243 291 362 0.721 24.18 -3.8 89 89 83 91 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1018 myo-Inositol 25.2117 2397.0 2.9 scans 35% 318 m/z 3.6% 0.0270% 1818 1.0 109 27814 0.0318% 591115 556809 693756 5-1 14: 318 299 387 319 320 389 300 230 388 317 433 343 432 390 0.927 25.21 0.2 87 87 78 89 470 5.5 0.258 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6242 2437.7 3.4 scans 53% 91 m/z 0.77% 0.0540% 1857 1.4 142 129701 1179594 1071326 3-3 19: 91 117 194 207 92 115 193 208 65 312 104 178 51 118 195 78 116 128 179 0.984 25.61 1.4 95 95 95 95 312 17.5 1.532 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2986 2504.7 3.0 scans 47% 204 m/z 0.82% 0.0660% 1921 0.9 173 121954 0.0755% 1441699 1193194 1647126 17-0 9: 204 217 205 219 206 218 305 220 306 0.931 25.86 44.0 82 84 88 99 361 9.3 0.290 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5543 2531.1 3.9 scans 65% TIC 0.40% 0.204% 1945 1.6 314 251693 0.555% 4453368 4453368 12108013 0-0 0.982 26.57 -2.0 98 97 91 98 512 101.6 10.446 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9278 2569.7 2.8 scans 90% 371 m/z 0.046% 1.35% 1981 0.7 809 2149659 29584578 28896049 1-0 20: 371 372 73 147 57 129 205 203 239 55 71 459 373 103 116 75 145 101 117 85 1.000 26.39 55.1 90 98 98 100 459 101.7 1.586 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1008 Sucrose 27.4129 2620.5 2.8 scans 51% 361 m/z (397) 0.44% 0.160% 2027 0.9 271 226415 3500602 3257342 1-3 10: 361 362 437 363 271 451 438 439 364 452 0.974 27.59 -19.0 96 97 93 98 437 50.4 3.449 -0.178 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN LQC1-N1010 Sucrose 27.4129 2620.5 2.8 scans 50% 361 m/z 0.44% 0.148% 2027 0.9 268 226380 3242791 3017446 1-3 10: 361 362 437 363 271 451 438 439 364 452 0.973 27.58 -17.7 98 97 93 98 437 50.4 3.524 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9064 2673.1 2.7 scans 83% 73 m/z 0.33% 0.444% 2074 1.0 479 297396 1.10% 9702330 8984271 23997864 1-0 20: 73 161 109 57 205 145 160 214 287 147 286 75 201 517 83 127 186 172 301 312 0.998 27.91 -0.3 100 98 99 100 662 22.2 0.215 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9811 2681.1 2.9 scans 80% 73 m/z 0.39% 0.361% 2081 1.0 443 253521 1.15% 7875973 7875973 25088676 0-0 20: 73 109 161 205 160 214 57 145 287 286 147 83 186 517 75 312 201 172 129 103 0.995 27.98 -0.1 100 99 99 99 662 20.5 0.215 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0337 2686.7 3.0 scans 57% 161 m/z 1.2% 0.0924% 2086 1.1 242 80850 1.05% 2016119 2016119 22907052 0-0 18: 161 73 57 109 287 205 145 517 160 182 201 127 574 172 162 301 304 518 0.972 28.03 0.0 98 97 95 99 574 20.6 0.730 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.3936 2726.5 2.8 scans 37% 399 m/z 1.3% 0.0509% 2120 1.0 156 73085 1111698 1046399 1-1 4: 399 400 487 401 0.798 28.19 22.6 93 94 81 94 487 21.7 1.937 0.201 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.6745 2758.1 2.9 scans 81% 341 m/z 0.48% 0.390% 2147 1.0 437 209600 0.666% 8509109 8509109 14529616 0-0 17: 341 189 117 145 129 457 188 103 357 57 75 342 55 131 458 83 267 0.997 28.67 0.8 91 89 91 94 457 72.0 2.717 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1034 Nonacosane 29.5047 2851.5 >3 scans 53% TIC 0.89% 0.0474% 2226 1.2 187 112644 0.268% 1034481 828361 5846752 0-5 0.989 29.50 -0.0 97 97 97 97 408 6.4 0.118 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8298 2888.1 3.0 scans 54% 57 m/z 0.71% 0.0982% 2257 0.8 205 141467 2143797 1837864 4-9 15: 57 71 85 99 56 113 70 127 84 141 98 140 86 155 112 0.993 29.83 0.4 96 96 98 96 408 12.5 0.373 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1042 C20:0-2-glycerol 30.3896 2953.9 2.7 scans 72% 189 m/z 0.47% 0.441% 2310 1.2 450 212674 9636069 9537650 0-2 14: 189 369 129 117 204 145 485 188 370 435 131 385 190 486 0.975 30.38 1.0 81 73 71 99 485 69.3 2.371 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4243 2958.0 2.9 scans 58% 193 m/z (189) 0.51% 0.232% 2313 1.0 319 197092 5073310 4787367 2-1 13: 193 119 105 163 120 91 194 176 247 515 325 106 92 0.971 30.36 7.9 89 91 86 91 529 13.3 0.175 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4674 2963.1 3.4 scans 84% TIC 0.19% 0.342% 2317 1.4 415 529464 1.03% 7465881 7082710 22470727 0-1 0.998 30.46 0.5 99 98 99 100 393 91.9 4.910 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2103 3051.3 2.9 scans 81% 57 m/z 0.13% 0.529% 2388 0.9 500 740956 11554584 11247517 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 394 392 155 0.994 31.21 -0.2 100 99 99 100 393 77.5 2.404 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1048 Hentriacontane 31.5144 3087.5 3.0 scans 75% 57 m/z 0.13% 0.524% 2417 0.9 493 742325 11433698 10930594 2-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 72 0.997 31.53 -2.0 99 98 99 99 436 28.6 0.338 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6796 3107.1 3.6 scans 20% 204 m/z 1.2% 0.0214% 2432 1.2 124 78926 0.151% 467395 441605 3294252 0-1 15: 204 217 597 337 73 205 103 598 361 191 338 599 129 147 206 0.925 31.68 0.5 89 90 81 89 597 17.4 1.977 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8111 3122.7 2.8 scans 63% 502 m/z 0.20% 0.258% 2445 0.9 352 501609 5648119 5616546 0-1 15: 502 237 503 236 238 504 277 221 239 223 505 208 275 262 235 0.978 31.79 2.3 100 99 96 99 502 177.8 25.484 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9395 3137.9 3.0 scans 45% 329 m/z 1.5% 0.141% 2457 1.1 248 64130 3080494 3036636 0-2 11: 329 368 458 353 330 328 369 443 459 247 255 0.965 31.87 8.5 95 95 94 96 458 38.1 2.365 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1089 3158.1 2.9 scans 59% 57 m/z 0.16% 0.406% 2473 1.0 441 596936 0.429% 8866292 8103488 9359167 5-0 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 127 111 141 84 58 155 0.992 32.11 -0.1 97 96 99 99 421 102.5 5.390 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1004 Campesterol 32.7791 3237.7 3.3 scans 44% 343 m/z 0.63% 0.327% 2537 0.9 365 158773 7141851 6793536 1-1 16: 343 129 382 472 367 383 344 342 107 119 121 145 105 159 473 255 0.897 32.21 67.6 83 95 82 96 472 58.3 2.544 0.569 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1046 Stigmasterol 32.9748 3260.9 3.3 scans 73% 83 m/z 0.35% 0.645% 2555 0.9 534 284993 14072913 14072913 0-0 19: 83 129 55 255 484 394 69 81 75 159 133 119 145 105 107 93 351 355 95 0.990 32.98 -0.9 93 90 96 97 665 11.5 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN WTF2-N1034 b-Sitosterol 33.4651 3319.1 3.3 scans 46% 357 m/z 0.86% 0.272% 2602 0.9 333 116327 5955447 5676548 1-2 10: 357 396 486 381 358 356 119 487 159 255 0.979 32.88 69.8 84 96 95 97 486 48.2 2.095 0.588 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5704 3331.6 >4 scans 35% 505 m/z 1.0% 0.159% 2612 1.0 278 97457 0.945% 3489645 3489645 20616347 0-0 18: 505 271 491 361 506 169 492 109 223 103 507 289 201 127 362 272 493 273 0.948 33.63 -6.5 97 97 94 99 505 71.5 6.630 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5840 3333.3 3.7 scans 12% 386 m/z (505) 3.7% 0.0822% 2613 1.1 160 26564 0.0964% 1794616 1527840 2103086 5-4 7: 386 296 387 388 372 469 298 0.809 33.58 -0.0 84 89 73 91 505 8.2 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6935 3346.3 3.6 scans 45% 505 m/z (204) 0.83% 0.293% 2624 1.0 345 120102 1.24% 6405241 6405241 27052138 0-0 16: 505 271 491 169 506 109 492 223 272 507 289 127 493 201 273 257 0.977 33.69 0.1 96 98 95 99 505 87.0 6.344 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8860 3369.1 3.2 scans 24% 441 m/z 0.64% 0.0694% 2642 1.1 170 157130 1514820 1494873 0-1 10: 441 442 646 308 443 647 648 329 427 425 0.959 33.80 10.7 96 96 89 96 646 28.9 2.895 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4437 3435.4 3.7 scans 82% 271 m/z 0.21% 1.23% 2695 1.0 663 459234 3.34% 26930726 26278407 72866242 1-0 20: 271 505 331 73 109 361 169 241 506 223 127 475 103 272 201 217 199 332 289 243 0.997 34.52 -8.8 100 99 99 100 505 150.6 5.156 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\B MN_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5857 3452.2 4.0 scans 69% 271 m/z 0.38% 0.604% 2709 1.1 483 262957 3.23% 13192706 12632036 70466456 0-7 20: 271 505 73 331 109 361 241 506 169 475 223 103 272 289 201 127 332 199 507 243 0.993 34.59 -0.4 93 89 96 100 596 55.0 1.294 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN EXBLK5S-N1006 Contamination 6.3720 1048.3 1.8 scans 54% 207 m/z 1.1% 0.0151% 27 1.2 129 85204 0.0166% 459857 458699 503389 1-0 13: 207 295 208 209 296 191 297 84 279 189 193 85 177 0.919 6.63 -15.0 94 94 80 95 295 41.3 10.260 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1192 Contamination 7.9819 1143.7 2.6 scans 96% TIC 0.074% 0.629% 180 0.8 666 1350108 19077830 17443052 2-4 1.000 7.99 -0.5 99 98 98 99 235 134.4 4.070 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1026 Cadaverine NC 8.1292 1152.5 2.2 scans 55% 174 m/z 4.9% 0.00357% 194 1.0 57 20145 108494 108494 0-0 6: 174 175 86 216 100 176 1.000 7.74 23.3 93 94 85 94 216 14.5 6.424 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1188 Contamination 8.3102 1163.2 2.3 scans 61% 281 m/z 4.7% 0.00745% 211 1.2 82 20922 0.00829% 226157 214606 251391 2-1 11: 281 147 369 282 283 370 148 207 265 371 249 0.821 8.41 -6.2 92 91 67 96 369 23.4 8.197 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1186 Phosphate 8.5154 1175.4 2.2 scans 97% 241 m/z 0.048% 0.417% 231 0.9 616 2071949 12659364 12235061 1-1 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 75 137 121 134 257 1.000 8.56 -2.6 100 99 99 100 299 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1180 Benzoic acid 9.6738 1243.5 3.4 scans 34% 179 m/z 6.5% 0.00649% 341 0.6 59 15373 0.00673% 196940 185820 204085 3-1 7: 179 105 135 77 180 194 51 0.750 9.76 -5.0 92 94 86 96 194 10.5 3.160 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN VEN77_S6-N1002 Glycerol 10.0474 1265.3 6.0 scans 98% 300 m/z 0.012% 5.34% 376 0.2 1369 8241945 161998820 161128338 1-0 20: 300 301 315 316 284 181 195 209 121 151 194 212 227 165 167 226 136 132 143 210 0.998 10.09 -2.7 98 96 91 99 299 751.9 30.322 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6682 1301.7 3.6 scans 90% TIC 1.2% 0.0829% 435 1.0 213 80398 2514935 2505014 1-0 0.988 10.73 -3.9 90 85 74 99 209 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0070 1322.1 2.8 scans 60% 184 m/z 5.2% 0.00978% 468 0.8 81 18908 0.0110% 296815 290034 333571 4-0 12: 184 134 285 174 77 86 227 185 286 135 172 186 0.926 11.06 -3.4 92 92 84 93 285 25.2 9.639 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3773 1344.4 3.8 scans 22% 57 m/z (163) 0.42% 0.109% 503 0.8 235 233757 0.113% 3312862 3081775 3426681 3-1 20: 57 97 115 145 127 69 129 111 59 109 128 58 72 71 87 98 201 114 113 96 0.490 11.45 -4.1 93 95 95 99 145 68.1 8.390 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3984 1345.7 3.1 scans 91% TIC 0.038% 0.791% 505 0.7 694 2577763 0.809% 23998825 21728658 24532609 3-2 0.982 10.96 26.7 97 97 96 99 161 177.9 6.574 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN TAB_REP6-N1026 Malic acid 13.4575 1472.8 2.6 scans 95% TIC 0.18% 0.185% 701 0.9 372 534997 5640086 5608596 1-0 0.990 13.53 -4.8 99 98 97 98 335 43.3 1.354 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9500 1504.0 2.8 scans 55% 156 m/z 3.5% 0.00657% 747 1.0 67 28299 199486 199486 0-0 7: 156 230 157 232 258 100 158 0.992 14.11 -10.7 82 78 78 91 273 0.0 0.000 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2646 1524.9 2.6 scans 57% 263 m/z 0.88% 0.0253% 777 1.0 138 112543 768157 763323 0-1 17: 263 264 278 447 265 239 279 448 342 175 449 247 207 128 135 119 129 0.957 14.33 -4.1 85 80 84 96 278 33.7 5.929 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6634 1551.3 2.9 scans 93% TIC 0.23% 0.113% 815 1.4 280 425804 0.134% 3449780 3338106 4063498 2-0 0.993 14.16 33.0 92 93 91 98 250 52.4 3.503 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1044 Dodecanol 14.7170 1554.9 2.6 scans 64% 243 m/z 1.8% 0.0155% 820 1.0 109 53332 0.0225% 472984 422209 682304 0-6 14: 243 75 244 103 89 97 83 245 61 101 111 115 59 76 0.996 14.24 31.5 93 95 88 96 243 60.5 30.686 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 2.7 scans 62% 290 m/z 1.2% 0.0276% 960 1.5 130 81468 837533 750756 1-4 10: 290 291 292 158 392 131 144 115 393 293 0.855 16.28 -6.3 89 84 79 98 392 16.5 1.621 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.0 scans 59% TIC 3.8% 0.00668% 993 1.3 91 26176 0.0657% 202724 202724 1992327 0-0 0.994 16.63 -6.5 86 86 88 86 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1010 Glycerol-P 17.4843 1747.2 3.4 scans 97% 357 m/z 0.029% 3.29% 1083 0.4 1384 3378426 99903737 98786115 1-0 20: 357 299 73 358 315 147 300 445 370 211 359 301 387 103 101 256 129 133 218 328 0.998 16.97 37.7 96 99 98 99 445 217.5 2.470 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN TAB_REP6-N1048 Citric acid 18.2377 1802.3 2.7 scans 53% 273 m/z 4.0% 0.0115% 1155 0.9 93 24820 0.0123% 351048 351048 372993 0-0 12: 273 363 274 375 347 275 149 148 257 364 305 183 0.957 18.24 -0.5 84 83 77 88 465 12.8 1.888 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4250 1816.6 4.1 scans 93% TIC 0.032% 3.46% 1173 0.6 1285 3088726 105059600 104368534 0-2 0.970 17.91 38.4 96 99 98 100 327 119.7 0.869 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1012 Phytol 18.5628 1827.1 3.1 scans 98% 68 m/z 0.056% 2.04% 1186 0.5 1131 1758451 2.26% 62164311 61538569 68533616 1-1 20: 68 95 82 57 123 69 55 81 83 67 97 71 96 109 124 111 56 79 85 70 1.000 18.04 39.0 94 98 99 99 278 64.9 0.329 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1016 Hexadecene 18.6207 1831.6 2.7 scans 93% TIC 0.21% 0.283% 1191 1.3 452 472002 5.77% 8586201 7710574 174972994 0-2 0.997 18.10 39.2 86 87 93 97 280 64.1 2.005 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6459 1833.5 2.6 scans 49% 285 m/z 2.4% 0.0223% 1194 0.9 129 41258 678783 678261 1-0 13: 285 117 132 145 286 118 61 300 287 116 201 241 130 0.997 18.73 -6.2 94 94 81 94 300 12.4 0.932 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1002 Phytol 18.8min 18.8500 1849.1 2.7 scans 94% 81 m/z 0.32% 0.311% 1213 1.1 484 305991 9442745 8946482 1-4 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 56 110 111 0.997 18.84 0.8 98 98 99 98 278 53.9 1.240 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0984 1868.0 2.9 scans 97% 81 m/z 0.16% 0.671% 1237 0.7 674 594416 20370819 20225075 1-0 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.6 93 95 98 99 278 88.5 1.723 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BRA4_R~2-N1004 Galactose 19.2625 1880.5 2.7 scans 32% 319 m/z 6.8% 0.00681% 1252 1.0 70 14648 0.00748% 206633 186519 226828 1-1 6: 319 205 320 160 206 321 0.979 19.36 -7.6 85 85 72 87 364 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9117 1931.6 2.6 scans 59% 204 m/z 0.64% 0.0381% 1314 1.1 174 155529 0.0417% 1158107 1069751 1264536 1-2 14: 204 205 159 217 147 206 129 218 191 189 160 219 291 305 0.831 19.91 -0.1 95 95 76 95 361 9.4 0.295 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7861 2002.0 2.8 scans 95% TIC 0.18% 0.634% 1397 0.9 689 555554 0.704% 19236533 18695112 21348525 1-3 0.999 20.27 41.8 83 83 94 98 322 45.4 0.434 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1038 C16:0 21.1533 2032.9 3.5 scans 97% 117 m/z 0.029% 3.19% 1432 0.5 1350 3428798 96977342 96977342 0-0 20: 117 313 73 75 132 129 145 314 55 131 328 133 57 118 69 74 201 315 116 269 1.000 20.62 44.6 94 99 99 100 328 151.5 1.260 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6605 2075.5 2.8 scans 55% 305 m/z (73) 2.4% 0.0296% 1480 1.0 142 41629 898142 833095 3-1 16: 305 217 318 191 306 265 218 319 307 432 291 320 433 367 192 219 0.991 21.75 -7.4 91 93 89 93 507 8.3 0.340 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9551 2100.3 2.9 scans 78% TIC 1.2% 0.0671% 1508 1.1 217 80328 0.143% 2034916 1764558 4336419 2-1 0.975 22.33 -32.7 95 97 95 98 342 25.8 1.411 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1040 Phytol 22.6169 2158.1 3.1 scans 94% 143 m/z 0.053% 0.537% 1571 1.0 588 1874383 16299589 15789228 4-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 83 97 82 67 74 96 1.000 22.08 46.6 81 82 90 96 181 9.0 0.023 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1042 C18:2 23.0536 2196.2 >5 scans 63% 129 m/z (73) 0.15% 1.11% 1613 0.9 659 658406 7.69% 33905735 31314512 233196243 5-0 20: 129 117 145 131 149 143 155 116 218 205 183 151 130 111 201 72 339 221 118 57 0.987 22.53 45.4 82 89 93 96 352 36.2 0.302 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 6.4 scans 94% TIC 0.037% 8.48% 1626 0.2 1616 2667363 9.68% 257176941 244678976 293542215 0-7 0.996 23.12 6.8 96 96 98 96 350 112.4 0.484 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1036 C18:0 23.4082 2228.4 2.7 scans 91% 341 m/z 0.10% 0.773% 1646 0.8 744 996736 23444895 21508415 2-3 20: 341 117 73 75 132 129 145 342 55 57 356 133 118 69 131 74 343 201 83 116 0.999 22.89 46.6 93 99 99 99 356 93.1 1.566 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1447 2295.8 3.3 scans 36% 204 m/z (117 98) 1.5% 0.0238% 1716 0.9 118 65596 0.0259% 723100 698149 785407 2-3 9: 204 205 217 206 338 219 218 361 339 0.960 24.18 -3.3 82 86 81 86 581 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1447 2295.8 3.3 scans 29% 204 m/z 1.5% 0.0173% 1716 0.9 106 65394 0.0189% 527368 509170 573135 2-3 9: 204 205 217 206 338 219 218 361 339 0.750 24.01 12.3 81 80 66 87 490 0.0 0.000 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1012 Androsterone 24.23min 24.2352 2304.2 3.5 scans 36% 143 m/z 0.53% 0.0337% 1725 1.2 147 186892 0.0634% 1021959 1020399 1922580 1-0 9: 143 144 156 272 155 219 170 362 163 0.903 24.23 0.4 85 85 72 88 362 11.3 0.585 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1018 myo-Inositol 25.2158 2397.4 3.5 scans 75% TIC 0.47% 0.179% 1818 1.4 322 209739 0.327% 5457611 5455748 9916147 1-0 0.953 25.21 0.6 97 96 95 100 470 21.3 0.438 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6178 2437.1 3.2 scans 60% 91 m/z 0.41% 0.0669% 1856 1.3 204 240212 2030853 1798009 3-3 17: 91 117 194 207 92 115 208 193 65 103 312 104 118 51 178 116 128 0.964 25.61 0.8 97 96 96 98 312 23.2 1.293 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5595 2531.7 2.8 scans 39% 512 m/z (218) 1.1% 0.0510% 1946 1.0 191 90138 1548739 1548739 0-0 16: 512 455 247 513 456 514 483 248 349 263 457 497 484 235 423 409 0.947 26.57 -1.4 93 95 86 96 512 60.2 9.966 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9341 2570.4 2.8 scans 91% 371 m/z 0.048% 1.03% 1981 0.7 851 2052609 31287537 31265882 0-1 20: 371 372 73 147 129 57 205 203 239 55 103 373 71 459 116 75 145 117 85 101 1.000 26.39 55.8 90 98 98 100 459 103.6 1.487 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1010 Sucrose 27.4254 2621.8 2.8 scans 49% 361 m/z 0.44% 0.117% 2028 0.9 292 223998 3569493 3283940 1-6 10: 361 362 437 363 271 451 438 439 452 364 0.839 27.58 -16.4 98 98 91 98 437 51.2 3.068 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN LQC1-N1008 Sucrose 27.4286 2622.2 3.5 scans 53% TIC 0.47% 0.0965% 2028 1.2 303 210426 0.361% 2927139 2806727 10947184 1-0 0.843 27.59 -17.3 96 94 87 97 437 49.6 2.673 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9168 2674.3 2.8 scans 87% 73 m/z 0.25% 0.417% 2075 1.2 562 385264 1.06% 12669615 12669615 32144085 0-0 20: 73 161 109 57 205 160 145 287 214 147 286 75 83 127 201 186 517 172 103 312 0.999 27.91 0.9 100 99 99 100 662 24.5 0.190 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9831 2681.3 3.6 scans 69% 73 m/z 0.60% 0.148% 2081 0.8 356 164759 1.00% 4495306 4495306 30324609 0-0 20: 73 109 161 145 57 205 287 147 517 75 172 201 301 103 162 127 289 55 215 117 0.991 27.98 0.1 98 98 98 98 662 14.6 0.168 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0399 2687.4 3.0 scans 54% 161 m/z 1.1% 0.0883% 2086 1.1 251 90400 0.851% 2678120 2678120 25806242 0-0 15: 161 109 287 205 145 160 201 517 127 182 162 301 289 574 245 0.955 28.03 0.7 96 96 90 98 574 21.6 0.738 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.3998 2727.2 2.8 scans 39% 399 m/z 1.0% 0.0523% 2121 1.0 191 97844 1588534 1588534 0-1 7: 399 400 401 488 429 489 402 0.780 28.19 23.3 94 96 81 96 487 25.5 1.787 0.207 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6891 2759.7 2.9 scans 93% TIC 0.14% 1.00% 2148 0.8 848 689446 1.63% 30381584 30381584 49429113 0-0 0.999 28.67 2.4 92 90 92 94 457 132.5 2.440 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1034 Nonacosane 29.5099 2852.1 3.0 scans 29% 57 m/z 1.9% 0.0198% 2226 0.9 125 50913 600855 511951 3-2 15: 57 71 85 365 56 99 97 113 70 84 98 86 393 112 364 0.954 29.50 0.6 86 88 92 87 408 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8339 2888.5 3.0 scans 44% 57 m/z 0.92% 0.0487% 2257 0.9 179 108409 0.0506% 1477702 1281504 1534425 3-0 14: 57 71 85 99 56 70 113 84 127 86 141 140 126 112 0.973 29.83 0.8 85 85 95 91 408 9.9 0.303 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1042 C20:0-2-glycerol 30.4021 2955.4 3.0 scans 88% TIC 0.16% 0.912% 2311 1.2 779 613811 1.20% 27673153 26503467 36389531 1-0 0.981 30.38 2.5 91 85 77 100 485 117.5 2.276 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4242 2958.0 3.3 scans 45% 193 m/z (189) 0.54% 0.173% 2313 1.0 313 184692 5248511 4814168 2-2 17: 193 105 119 163 120 176 194 91 515 247 516 106 164 307 92 529 275 0.845 30.36 7.9 84 88 85 88 529 12.7 0.166 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4747 2964.0 2.9 scans 78% 57 m/z 0.17% 0.263% 2318 1.0 431 574175 0.428% 7988330 7677068 12978933 0-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 113 394 127 111 141 84 58 365 0.997 30.46 1.4 100 99 99 100 393 97.4 5.098 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2228 3052.8 3.0 scans 86% 57 m/z 0.085% 0.613% 2389 0.8 651 1176220 18593169 17812501 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 155 98 421 58 0.996 31.21 1.3 98 96 99 100 393 96.5 2.199 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1048 Hentriacontane 31.5259 3088.8 2.8 scans 81% 57 m/z 0.087% 0.563% 2418 0.8 629 1139747 17102760 16483066 2-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 82 0.996 31.53 -0.7 97 96 99 98 436 34.6 0.303 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8205 3123.8 2.8 scans 81% 502 m/z 0.10% 0.395% 2446 0.8 532 934906 12002049 11548650 1-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 74 239 505 193 0.994 31.79 3.4 100 99 99 100 502 253.2 22.626 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9488 3139.1 3.1 scans 79% 129 m/z 0.37% 0.420% 2458 0.8 534 269095 12765026 11985914 1-1 19: 129 329 368 353 458 95 75 107 121 81 119 330 145 57 105 328 93 55 369 0.996 31.87 9.7 96 94 95 98 458 74.4 1.938 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1298 3160.5 3.3 scans 80% TIC 0.074% 0.712% 2475 0.8 694 1350828 1.27% 21598588 20532145 38512253 1-1 0.993 32.11 2.3 97 94 98 99 421 150.0 4.674 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1004 Campesterol 32.7969 3239.8 3.5 scans 58% 129 m/z 0.18% 0.927% 2539 0.6 715 546135 28135923 26359934 4-1 19: 129 343 382 472 367 95 75 107 121 145 119 344 81 105 342 383 93 159 91 0.906 32.21 69.7 84 95 84 97 472 107.9 2.277 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1046 Stigmasterol 33.0063 3264.6 3.8 scans 88% 83 m/z 0.097% 2.03% 2558 0.4 1046 1025125 61646539 56930439 1-1 20: 83 129 255 55 394 484 69 81 73 133 75 159 145 355 119 351 107 105 93 95 0.998 32.98 2.8 96 94 98 97 665 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1042 3276.3 3.3 scans 76% TIC 0.090% 0.525% 2568 0.9 631 1101922 2.28% 15921638 15568552 69140108 0-1 0.986 33.10 0.9 88 86 97 92 515 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN WTF2-N1034 b-Sitosterol 33.4840 3321.4 3.4 scans 74% 129 m/z 0.24% 0.717% 2604 0.7 679 407911 1.09% 21768942 21537233 33053824 1-2 19: 129 357 396 486 381 75 95 107 119 57 121 358 145 81 397 105 356 255 55 0.991 32.88 72.1 85 96 98 99 486 91.2 1.801 0.607 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5871 3333.6 >4 scans 71% 505 m/z 0.26% 0.643% 2614 1.1 624 375249 1.98% 19500568 19500568 60042726 0-0 19: 505 271 73 361 491 169 109 506 103 223 492 127 272 201 362 289 507 75 257 0.997 33.57 1.8 96 94 95 98 505 141.2 5.120 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6450 3340.5 5.1 scans 47% 505 m/z 0.34% 0.289% 2619 1.1 494 288729 1.11% 8780760 8780760 33660316 0-0 20: 505 271 73 491 361 169 109 506 103 223 492 272 507 289 362 201 127 493 147 243 0.992 33.63 2.4 98 96 96 100 505 130.9 7.019 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7081 3348.0 >4 scans 54% 505 m/z (204) 0.56% 0.401% 2625 1.3 447 176459 1.96% 12173509 10496602 59436234 0-6 11: 505 491 56 506 492 507 127 272 201 70 493 0.990 33.69 1.8 94 95 94 99 505 97.2 4.725 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8933 3370.0 3.4 scans 4.3% 441 m/z (99) 2.6% 0.00906% 2643 1.0 72 37125 274933 273410 2-0 7: 441 442 308 646 443 509 647 0.770 33.80 11.6 86 89 60 94 646 14.0 3.815 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4636 3437.7 3.8 scans 78% 271 m/z 0.17% 1.11% 2697 0.9 771 568212 2.04% 33786980 31704503 61862202 2-0 20: 271 331 505 73 109 361 241 169 223 506 127 103 475 217 201 272 332 199 289 243 0.998 34.52 -6.5 100 99 99 100 505 167.2 4.701 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5878 3452.5 3.9 scans 17% 596 m/z 0.39% 0.0865% 2709 0.8 210 250015 2624122 2510323 3-1 11: 596 597 598 316 302 356 318 303 300 600 370 0.986 34.47 13.8 96 95 75 97 596 130.9 38.727 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.6004 3454.0 >4 scans 32% 505 m/z (99) 1.3% 0.154% 2710 1.4 283 74232 2.19% 4673144 4426533 66410894 0-1 20: 505 271 109 475 506 241 223 272 169 289 361 507 103 201 199 491 127 243 325 273 0.976 34.59 1.4 93 94 91 96 596 10.6 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN EXBLK5S-N1006 Contamination 6.3646 1047.9 3.1 scans 60% TIC 0.96% 0.0219% 26 1.9 158 103833 0.0667% 718741 718741 2182783 0-0 0.825 6.63 -15.4 97 96 88 97 295 46.5 8.667 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8760 1078.2 >3 scans 12% 73 m/z 15% 0.00137% 75 0.3 41 6309 0.0210% 45047 45047 687233 0-0 4: 73 117 147 191 0.959 6.82 3.3 80 81 82 89 295 0.0 0.000 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1192 Contamination 8.0019 1144.9 2.6 scans 97% 147 m/z 0.066% 0.636% 182 0.7 725 1504080 20822143 19682056 4-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.996 7.99 0.7 99 98 97 99 235 148.4 4.195 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1188 Contamination 8.3080 1163.1 2.2 scans 70% 281 m/z 3.0% 0.0103% 211 1.1 106 33113 340118 339652 1-0 13: 281 147 369 282 283 370 207 265 148 371 149 249 191 0.885 8.41 -6.3 93 91 68 96 369 29.2 7.586 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1186 Phosphate 8.5290 1176.2 2.2 scans 98% 241 m/z 0.055% 0.336% 232 1.1 587 1813081 11014443 11014443 0-0 19: 241 242 133 73 211 163 256 243 195 135 59 98 89 147 119 137 212 134 257 1.000 8.56 -1.8 100 99 99 100 299 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1180 Benzoic acid 9.6875 1244.3 3.4 scans 30% 179 m/z 7.5% 0.00536% 342 0.7 55 13193 0.00689% 175411 160310 225478 1-0 7: 179 105 135 77 51 180 194 0.839 9.76 -4.2 93 94 87 96 194 9.8 3.206 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN VEN77_S6-N1002 Glycerol 10.0610 1266.1 6.0 scans 97% 299 m/z 0.011% 4.88% 378 0.3 1393 8379689 159866510 158331445 1-0 20: 299 300 73 314 133 283 147 207 315 211 193 205 191 135 74 225 75 117 103 131 0.999 10.09 -1.9 98 96 92 99 299 772.9 30.949 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6786 1302.3 3.2 scans 69% 199 m/z 1.2% 0.0641% 436 0.8 205 77706 2100263 2000045 2-1 17: 199 75 117 145 132 200 129 131 81 118 61 74 76 155 96 107 119 0.802 10.73 -3.3 92 90 83 99 209 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0132 1322.5 3.0 scans 70% TIC 2.9% 0.0191% 468 1.5 119 33660 0.0705% 627704 602237 2307140 0-1 0.893 11.06 -3.0 95 94 84 97 285 33.3 7.859 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1162 Fumaric acid 11.2847 1338.8 2.2 scans 29% 245 m/z 9.2% 0.00117% 494 1.0 34 10766 38570 38570 0-0 2: 245 246 0.960 11.39 -6.5 85 90 55 90 245 27.7 65.360 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3836 1344.8 4.3 scans 42% 57 m/z (84) 0.51% 0.0945% 503 0.8 220 195496 0.0990% 3094995 2956036 3239813 3-0 18: 57 97 115 145 127 69 129 111 59 128 72 98 87 114 201 96 113 112 0.967 11.45 -3.7 93 94 95 98 145 65.1 8.756 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4068 1346.2 3.0 scans 91% TIC 0.047% 0.651% 506 0.6 639 2116241 21326562 17674853 4-5 0.985 10.96 27.2 97 98 97 98 161 165.6 6.715 0.451 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN TAB_REP6-N1026 Malic acid 13.4628 1473.2 2.6 scans 95% TIC 0.19% 0.169% 701 0.9 387 518076 5547097 5331165 1-1 0.998 13.53 -4.4 99 98 97 98 335 45.5 1.382 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9573 1504.5 2.8 scans 43% 156 m/z 2.4% 0.00803% 748 1.1 81 40739 263036 254889 1-1 7: 156 157 258 232 230 74 100 0.993 14.11 -10.2 85 82 82 92 273 0.0 0.000 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2708 1525.3 2.6 scans 65% 263 m/z 0.63% 0.0307% 778 0.9 164 156451 1005563 975008 1-1 16: 263 264 278 447 265 342 279 448 175 449 207 240 191 247 205 151 0.978 14.33 -3.7 86 81 84 97 278 42.1 6.633 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6686 1551.7 2.8 scans 83% 174 m/z 0.49% 0.0469% 816 1.1 191 200617 0.0496% 1537276 1537276 1623179 0-0 20: 174 73 175 86 176 250 100 59 91 130 74 251 177 162 87 121 131 117 65 101 0.994 14.16 33.4 92 94 91 97 250 37.2 3.782 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1044 Dodecanol 14.7212 1555.2 >3 scans 79% TIC 1.5% 0.0222% 821 1.2 134 64486 0.0854% 729716 729716 2794748 0-0 1.000 14.24 31.8 93 95 91 97 243 67.8 25.456 0.479 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1880 1654.9 2.8 scans 37% 290 m/z (195) 1.1% 0.0147% 960 1.8 102 83924 483271 477476 0-1 6: 290 291 292 392 144 393 0.888 16.28 -6.2 94 97 69 97 392 16.8 2.703 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5373 1679.2 2.9 scans 71% TIC 1.8% 0.0155% 993 1.1 138 53425 0.0709% 508928 508928 2320230 0-0 1.000 16.63 -6.2 92 91 94 92 210 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1010 Glycerol-P 17.4874 1747.5 3.2 scans 97% 299 m/z 0.028% 2.93% 1084 0.4 1431 3506779 95887715 93167388 1-1 20: 299 357 73 358 315 147 300 370 445 211 359 301 256 103 387 101 133 129 218 328 0.999 16.97 38.0 96 99 98 99 445 224.1 2.454 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN TAB_REP6-N1048 Citric acid 18.2387 1802.4 2.7 scans 59% 273 m/z 2.4% 0.0189% 1155 1.0 126 41401 621548 583995 3-1 17: 273 363 274 375 347 465 364 275 148 211 221 348 305 376 183 257 231 0.970 18.24 -0.4 93 92 87 94 465 17.7 1.995 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4281 1816.9 4.2 scans 94% TIC 0.030% 3.31% 1173 0.6 1328 3232493 108483913 101111395 1-2 0.980 17.91 38.7 96 99 98 100 327 125.3 0.891 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.0 scans 97% 68 m/z 0.059% 1.73% 1186 0.5 1129 1687483 1.94% 56680856 55691105 63487249 1-0 20: 68 95 82 57 123 69 55 81 83 67 97 71 96 109 124 111 56 79 70 53 1.000 18.04 39.1 94 98 99 99 278 66.0 0.341 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1016 Hexadecene 18.6248 1831.9 2.8 scans 92% TIC 0.25% 0.236% 1192 1.2 424 393054 5.19% 7742435 7402001 169844753 0-1 0.997 18.10 39.5 85 85 92 97 280 60.9 2.065 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6490 1833.7 2.7 scans 42% 285 m/z (70) 2.1% 0.0246% 1194 1.0 139 45543 0.358% 805120 709822 11715688 13-1 15: 285 117 132 129 145 286 118 287 116 300 130 61 241 201 257 0.946 18.73 -6.0 93 95 82 95 300 13.3 0.920 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1002 Phytol 18.8min 18.8542 1849.4 2.7 scans 94% 81 m/z 0.36% 0.276% 1213 1.0 464 271201 9038189 8632232 1-3 20: 81 82 68 95 57 123 69 55 83 67 79 71 97 96 124 109 110 53 56 111 0.998 18.84 1.1 97 96 99 97 278 53.3 1.318 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1004 1868.1 2.7 scans 96% 81 m/z 0.16% 0.582% 1237 0.8 690 596371 19054967 18512271 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.7 93 95 98 99 278 92.0 1.774 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BRA4_R~2-N1004 Galactose 19.2667 1880.8 2.6 scans 16% 319 m/z 13% 0.00303% 1253 1.0 51 7411 99267 99267 0-0 3: 319 160 320 0.938 19.36 -7.3 81 83 62 84 364 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9169 1932.1 2.8 scans 78% 204 m/z (332) 0.46% 0.0811% 1314 1.1 238 213370 2654318 2333090 4-2 15: 204 217 205 159 147 206 218 191 189 160 219 305 291 203 243 0.997 19.91 0.4 94 94 94 98 361 11.1 0.217 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7913 2002.5 3.0 scans 93% 75 m/z 0.19% 0.607% 1398 0.8 672 502124 0.653% 19865070 19265520 21369677 1-1 20: 75 73 79 93 67 95 129 108 91 80 55 117 81 94 307 121 77 135 107 145 0.999 20.27 42.3 82 82 94 98 322 45.4 0.457 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1038 C16:0 21.1596 2033.4 3.6 scans 97% 313 m/z 0.028% 2.94% 1433 0.3 1347 3467923 96261169 93381899 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 315 69 74 269 116 1.000 20.62 45.1 94 99 99 100 328 153.6 1.303 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6646 2075.9 3.0 scans 43% 305 m/z 2.2% 0.0291% 1480 1.0 142 44053 953596 851060 9-2 18: 305 217 318 191 147 306 319 265 218 307 432 320 192 148 433 367 221 393 0.921 21.75 -7.0 91 90 77 91 507 9.7 0.464 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9614 2100.8 3.0 scans 65% 327 m/z 1.4% 0.0488% 1509 1.2 191 67188 1598183 1551038 1-2 13: 327 117 132 145 129 328 342 201 118 329 343 116 299 0.961 22.33 -32.2 94 97 93 98 342 24.1 1.587 -0.369 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3980 2139.0 3.1 scans 22% 204 m/z (327) 5.8% 0.00747% 1550 0.9 61 17228 0.0776% 244688 184449 2539490 3-4 5: 204 249 205 206 218 0.864 22.71 -27.5 81 86 76 89 518 0.0 0.000 -0.316 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1040 Phytol 22.6221 2158.5 3.6 scans 90% 143 m/z 0.073% 0.415% 1571 1.0 508 1362034 13581366 12927195 5-1 18: 143 73 75 144 123 81 57 55 124 145 95 103 82 97 83 67 74 68 0.998 22.08 47.0 81 83 90 96 181 7.8 0.023 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 6.2 scans 93% 79 m/z 0.037% 7.27% 1626 0.2 1640 2651187 8.15% 238074916 232237891 266711896 0-6 20: 79 75 73 95 93 67 108 80 81 91 107 94 121 55 129 335 135 77 149 117 0.995 23.12 6.8 96 96 98 96 350 115.7 0.498 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1036 C18:0 23.4123 2228.8 2.6 scans 92% 341 m/z 0.095% 0.712% 1647 0.8 769 1047631 23325383 22723547 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 201 343 74 297 116 0.999 22.89 47.0 93 99 98 99 356 97.7 1.613 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7164 2256.6 3.0 scans 8.4% 163 m/z 2.7% 0.00645% 1676 1.1 70 35849 0.00993% 211256 203953 324963 1-1 4: 163 331 165 88 0.519 23.72 -0.3 83 88 53 91 331 18.9 7.242 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1489 2296.1 3.3 scans 30% 204 m/z (333 117) 1.0% 0.0306% 1717 0.9 138 93368 0.0372% 1003980 921251 1217384 0-11 11: 204 205 337 217 147 206 338 219 218 243 203 0.914 24.18 -3.0 85 89 81 88 581 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1489 2296.1 3.3 scans 26% 204 m/z 1.0% 0.0242% 1717 0.9 129 93753 0.0294% 793296 727928 962126 0-11 11: 204 205 337 217 147 206 338 219 218 243 203 0.693 24.01 12.6 86 88 68 90 490 0.0 0.000 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1018 myo-Inositol 25.2200 2397.8 3.6 scans 74% TIC 0.45% 0.186% 1818 1.4 348 220847 0.308% 6112095 5765344 10079419 1-0 0.958 25.21 1.0 97 95 94 100 470 23.6 0.459 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6240 2437.7 3.3 scans 43% 91 m/z 0.55% 0.0498% 1857 1.3 179 180360 1630600 1466593 3-3 17: 91 117 194 207 92 115 65 193 208 312 51 104 178 118 195 78 179 0.940 25.61 1.4 97 98 96 98 312 20.9 1.360 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5626 2532.0 2.9 scans 16% 512 m/z 1.5% 0.0392% 1946 1.1 176 64579 1284081 1207020 1-1 17: 512 455 247 513 456 483 514 248 263 457 349 423 497 484 409 235 498 0.926 26.57 -1.1 93 93 78 94 512 61.6 12.227 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9393 2570.9 2.8 scans 88% 371 m/z 0.035% 1.20% 1982 0.7 1007 2823439 39555833 38740668 2-1 20: 371 372 73 147 57 129 205 203 239 373 71 55 103 459 116 145 75 85 101 117 1.000 26.39 56.3 90 98 97 100 459 123.3 1.503 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1010 Sucrose 27.4265 2621.9 3.1 scans 46% 361 m/z 0.29% 0.237% 2028 1.3 353 335195 7766092 4773874 7-12 11: 361 362 437 363 271 451 438 439 364 452 272 0.882 27.58 -16.3 98 98 90 98 437 65.3 3.425 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN LQC1-N1008 Sucrose 27.4286 2622.2 4.8 scans 49% TIC 0.29% 0.203% 2028 1.6 365 335838 0.570% 6656570 4753693 18653470 7-0 0.847 27.59 -17.3 97 97 90 98 437 65.7 3.240 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8431 2666.4 2.8 scans 84% 73 m/z 0.26% 0.380% 2068 1.0 576 383776 0.643% 12439525 12383966 21042423 0-1 20: 73 161 109 57 205 160 145 214 287 147 286 127 201 75 517 186 172 312 301 129 0.998 27.91 -7.0 99 98 99 100 662 24.9 0.187 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 27.9704 2680.0 3.3 scans 60% 161 m/z 0.81% 0.108% 2080 1.3 295 123030 0.644% 3551499 3551499 21075149 0-0 16: 161 109 57 287 205 145 127 160 517 201 162 182 245 301 574 172 0.977 28.03 -6.7 94 93 91 99 574 23.6 0.640 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.4029 2727.5 2.8 scans 39% 399 m/z 1.0% 0.0545% 2121 1.1 207 93433 1785191 1751999 1-0 6: 399 400 401 488 402 489 0.802 28.19 23.6 93 94 85 94 487 26.5 1.632 0.210 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6944 2760.3 3.2 scans 90% TIC 0.15% 1.02% 2149 1.1 840 656534 1.67% 33501679 30855026 54651395 1-0 1.000 28.67 3.0 92 90 92 94 457 135.4 2.599 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8381 2889.0 3.5 scans 33% 57 m/z 1.2% 0.0391% 2257 0.9 159 80845 1282537 1049810 4-1 11: 57 71 85 99 56 113 70 140 141 86 126 0.974 29.83 1.3 86 86 95 91 408 9.4 0.349 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1042 C20:0-2-glycerol 30.4031 2955.5 3.1 scans 85% 189 m/z 0.18% 0.738% 2311 1.1 734 540282 0.960% 24161524 23481284 31416371 1-0 19: 189 129 369 117 145 188 485 57 103 55 75 370 131 204 385 71 69 83 97 0.987 30.38 2.6 90 84 76 100 485 114.6 2.435 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4315 2958.9 3.6 scans 66% 193 m/z (189) 0.52% 0.206% 2314 1.0 347 188911 6752677 6366692 1-1 14: 193 105 119 163 120 194 176 91 515 247 106 516 164 529 0.987 30.36 8.8 85 86 88 89 529 13.3 0.147 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4768 2964.2 3.6 scans 82% TIC 0.19% 0.248% 2318 1.8 431 518615 1.02% 8140352 7787168 33379894 0-1 0.999 30.46 1.6 99 98 99 100 393 91.3 4.493 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2217 3052.7 3.0 scans 83% 57 m/z 0.10% 0.439% 2389 0.8 580 909144 14370568 13677017 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 98 155 58 394 0.994 31.21 1.2 100 99 100 100 393 85.0 2.144 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1048 Hentriacontane 31.5258 3088.8 3.0 scans 76% 57 m/z (204) 0.10% 0.488% 2418 0.8 595 935232 15982531 15234367 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 112 155 58 72 0.991 31.53 -0.7 94 95 98 99 436 32.5 0.299 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6889 3108.2 7.8 scans 13% 204 m/z 2.0% 0.00929% 2433 1.6 100 49668 0.0734% 304328 286103 2402043 0-3 5: 204 597 337 205 217 0.823 31.68 1.6 80 83 75 82 597 13.4 1.792 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8225 3124.1 3.2 scans 75% 502 m/z 0.14% 0.288% 2446 1.0 459 681874 9447816 9143565 1-1 16: 502 237 503 73 236 238 504 277 221 223 239 74 208 505 193 222 0.989 31.79 3.7 100 99 98 100 502 220.5 23.051 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9530 3139.6 3.3 scans 76% 329 m/z 0.44% 0.379% 2458 0.9 501 224839 12412203 11555601 1-4 16: 329 129 368 458 353 95 107 330 145 121 119 105 81 328 369 91 0.995 31.87 10.2 96 95 95 98 458 71.9 2.058 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1287 3160.4 3.3 scans 80% TIC 0.081% 0.596% 2475 0.9 681 1228815 0.902% 19514361 18544776 29518298 2-1 0.994 32.11 2.2 97 95 99 99 421 150.9 4.909 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1004 Campesterol 32.8000 3240.1 3.8 scans 60% 129 m/z 0.19% 0.856% 2539 0.6 715 510150 28017497 24765514 5-1 19: 129 343 382 472 367 95 75 121 107 81 119 383 145 344 105 342 159 93 133 0.829 32.21 70.0 84 96 85 98 472 109.7 2.358 0.590 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1046 Stigmasterol 33.0073 3264.8 3.5 scans 89% 83 m/z 0.096% 1.81% 2559 0.4 1076 1039969 59476994 55613962 1-1 20: 83 129 255 394 55 484 69 81 73 159 355 351 133 75 119 145 105 107 95 93 0.999 32.98 3.0 96 94 98 97 665 0.0 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1052 3276.4 3.0 scans 70% 57 m/z 0.10% 0.471% 2568 0.8 603 964067 15432279 14042679 1-6 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 82 0.984 33.10 1.0 87 85 97 93 515 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN WTF2-N1034 b-Sitosterol 33.4861 3321.6 3.6 scans 74% 129 m/z 0.25% 0.657% 2604 0.7 669 385032 0.946% 21512094 21017380 30958215 1-2 18: 129 357 396 486 381 95 75 107 119 57 145 358 121 81 397 105 356 159 0.990 32.88 72.3 85 97 98 99 486 91.8 1.879 0.609 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5902 3334.0 3.5 scans 65% 505 m/z (386) 0.21% 0.752% 2614 1.1 679 471185 1.16% 24638772 23511378 37961448 1-0 19: 505 271 73 361 491 169 109 506 103 223 492 362 127 272 201 289 507 147 243 0.974 33.63 -4.1 96 96 96 100 505 176.8 6.786 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5902 3334.0 3.5 scans 82% 505 m/z (483) 0.18% 0.958% 2614 1.1 766 532305 1.48% 31355103 29920390 48433571 1-0 19: 505 271 73 361 491 169 109 506 103 223 492 362 127 272 201 289 507 147 243 1.000 33.57 2.2 94 94 96 99 505 175.6 5.258 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5986 3335.0 3.4 scans 14% 386 m/z (505) 1.2% 0.147% 2615 0.9 292 83112 4831125 4090119 1-10 7: 386 296 387 281 371 213 256 0.730 33.58 1.7 85 92 71 92 505 12.3 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8985 3370.6 3.4 scans 17% 441 m/z 0.96% 0.0326% 2643 0.9 145 103625 1068694 1034435 1-1 6: 441 442 646 308 443 647 0.913 33.80 12.2 92 93 83 94 646 25.2 3.006 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4678 3438.2 3.7 scans 86% 271 m/z 0.13% 1.47% 2697 0.8 925 767507 1.80% 48406217 46054853 58905695 1-0 20: 271 331 73 505 109 361 241 169 506 223 127 475 103 217 201 272 332 289 199 243 0.999 34.52 -6.0 100 99 99 100 505 205.5 4.936 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5277 3445.3 >4 scans 52% 505 m/z (99) 0.60% 0.268% 2703 1.3 401 165070 1.92% 8777509 8777509 62832741 0-0 19: 505 271 331 109 506 475 361 241 223 127 103 272 289 201 199 332 507 476 491 0.985 34.59 -7.3 96 97 96 99 596 13.5 0.114 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5909 3452.8 3.7 scans 32% 596 m/z (99) 0.42% 0.114% 2709 0.9 257 235419 0.120% 3741488 3533339 3927046 4-1 14: 596 597 598 316 599 302 315 318 356 303 317 330 342 301 0.962 34.47 14.1 95 96 87 99 596 129.5 25.326 0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN EXBLK5S-N1006 Contamination 6.3815 1048.9 1.9 scans 71% 207 m/z 0.67% 0.0245% 28 1.1 167 155336 0.0318% 862795 862795 1116982 0-0 15: 207 73 295 208 209 296 191 297 279 193 192 189 247 177 210 0.960 6.63 -14.4 97 96 86 97 295 51.3 9.421 -0.243 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1192 Contamination 8.0661 1148.7 2.8 scans 92% TIC 0.26% 0.170% 188 0.7 331 392107 5985678 5150535 7-1 0.999 7.99 4.5 97 96 97 97 235 66.4 4.021 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1026 Cadaverine NC 8.1397 1153.1 2.3 scans 30% 174 m/z 9.1% 0.00162% 195 1.1 38 11428 57102 57102 1-0 5: 174 216 86 175 100 0.954 7.74 23.9 83 85 75 85 216 9.1 5.726 0.404 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1188 Contamination 8.3218 1163.9 2.4 scans 82% 281 m/z 1.3% 0.0274% 212 1.1 149 78598 965665 913978 1-1 18: 281 147 369 282 283 370 371 207 265 148 152 249 149 191 86 284 167 266 0.981 8.41 -5.5 97 95 75 99 369 42.1 7.958 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1186 Phosphate 8.5838 1179.4 2.3 scans 79% 241 m/z 1.2% 0.0140% 237 1.2 108 83207 494797 476414 1-1 14: 241 242 133 211 163 243 256 195 135 98 89 137 257 119 0.976 8.56 1.4 98 97 90 97 299 0.0 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1180 Benzoic acid 9.7338 1247.0 3.4 scans 44% 179 m/z 5.9% 0.00736% 347 0.6 55 17700 0.00772% 258615 199109 271167 0-6 6: 179 105 135 180 181 194 0.953 9.76 -1.5 95 95 88 95 194 8.0 2.098 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LACTIC~1-N1034 Glycerol 10.0474 1265.3 >3 scans 5.9% 204 m/z (301) 0.96% 0.0518% 376 0.4 162 107965 0.139% 1821106 1821106 4882406 0-0 1: 204 0.643 10.11 -3.7 86 94 55 92 293 13.2 0.670 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN VEN77_S6-N1002 Glycerol 10.0863 1267.6 4.9 scans 95% 301 m/z 0.013% 3.31% 380 0.4 1170 7491324 116395688 113233622 1-1 20: 301 316 302 298 285 303 227 317 120 196 318 223 66 122 268 256 63 88 237 387 1.000 10.09 -0.4 98 97 93 99 299 662.7 32.261 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7113 1304.3 3.4 scans 57% 199 m/z 1.2% 0.0527% 440 0.6 168 81429 1852127 1728194 2-1 16: 199 117 75 145 132 129 200 118 76 116 201 96 107 130 157 155 0.843 10.73 -1.3 94 93 87 98 209 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1168 Glyceric acid 10.9807 1320.5 2.5 scans 42% 292 m/z 7.9% 0.00418% 465 0.9 58 13218 147009 147009 0-0 5: 292 189 205 102 293 0.978 11.05 -4.4 84 83 77 90 292 18.7 10.399 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0417 1324.2 2.7 scans 28% 184 m/z 8.9% 0.00365% 471 0.8 52 11640 128231 128231 1-0 6: 184 134 285 174 86 100 0.690 11.06 -1.3 86 87 73 88 285 17.7 11.550 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1162 Fumaric acid 11.3184 1340.8 >2 scans 49% TIC 5.8% 0.00254% 497 0.9 58 17792 0.259% 89442 89442 9097434 0-0 0.973 11.39 -4.5 94 94 82 94 245 32.3 30.594 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4068 1346.2 5.1 scans 37% 57 m/z 0.61% 0.0787% 506 0.7 175 170042 0.0840% 2766358 2502521 2950519 4-2 15: 57 97 115 145 127 129 69 109 111 128 58 72 98 114 96 0.952 11.45 -2.3 96 96 87 96 145 53.4 9.285 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4342 1347.8 3.1 scans 91% TIC 0.072% 0.443% 508 0.6 492 1449203 0.476% 15574941 13086315 16719608 8-0 0.990 10.96 28.8 90 89 93 98 161 124.8 6.418 0.478 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1146 Malic acid 13.4796 1474.2 2.5 scans 97% 73 m/z 0.10% 0.317% 703 1.0 492 1039855 11162190 11073901 2-0 20: 73 147 233 245 133 189 190 75 148 74 175 191 335 55 149 101 234 217 59 117 0.999 13.62 -8.6 100 99 98 99 350 11.2 0.052 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9752 1505.7 2.9 scans 20% 156 m/z (69) 3.3% 0.00543% 750 1.0 61 31046 190809 190809 1-0 6: 156 157 258 230 199 158 0.933 14.11 -9.0 84 84 79 91 273 0.0 0.000 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2867 1526.4 2.7 scans 45% 263 m/z (239) 0.64% 0.0267% 779 1.0 137 161622 938479 899751 1-1 16: 263 264 278 265 279 335 175 207 247 191 149 105 205 151 107 161 0.894 14.33 -2.6 88 89 63 96 278 37.3 7.460 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6844 1552.7 3.3 scans 83% TIC 0.67% 0.0359% 817 1.5 159 154767 0.180% 1263712 1263712 6322541 0-0 0.996 14.16 34.4 90 91 91 98 250 29.7 3.481 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1044 Dodecanol 14.7360 1556.2 2.7 scans 58% 243 m/z 1.6% 0.0169% 822 1.0 112 64732 594222 561420 3-1 8: 243 244 103 89 245 97 61 76 0.914 14.24 32.8 92 95 81 96 243 61.6 30.344 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1996 1655.7 2.8 scans 46% 290 m/z 1.1% 0.0166% 961 1.8 101 91137 583084 574560 0-1 9: 290 291 292 392 158 144 115 393 100 0.676 16.28 -5.4 91 90 61 97 392 16.6 2.716 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1114 Xylose 16.3048 1663.0 2.7 scans 29% 103 m/z 9.5% 0.00476% 971 1.1 58 10941 0.0104% 167212 148578 365302 0-1 6: 103 307 189 160 308 218 0.944 16.06 16.7 81 82 71 87 307 19.6 11.392 0.241 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5489 1680.0 2.8 scans 70% TIC 1.7% 0.0166% 994 1.4 132 61119 0.0979% 586365 581168 3438760 1-0 0.991 16.63 -5.4 91 91 90 90 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1010 Glycerol-P 17.4738 1746.5 2.6 scans 92% TIC 0.15% 0.456% 1082 1.0 582 686504 0.465% 16024168 15490510 16333230 0-1 0.968 16.97 37.0 96 99 98 99 445 91.1 2.449 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN TAB_REP6-N1048 Citric acid 18.2482 1803.1 2.6 scans 29% 273 m/z 6.0% 0.00548% 1156 1.0 65 17340 192746 192746 0-0 7: 273 363 375 465 211 275 157 0.750 18.24 0.3 85 87 60 89 465 10.6 2.691 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4376 1817.6 4.2 scans 94% TIC 0.032% 3.09% 1174 0.6 1207 3233555 108752614 101708452 1-2 0.984 17.91 39.4 95 99 98 100 327 113.7 0.888 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1012 Phytol 18.5744 1828.0 3.0 scans 97% 68 m/z 0.062% 1.61% 1187 0.5 1020 1660923 1.80% 56863341 55760870 63225407 1-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 56 79 70 85 1.000 18.04 39.9 94 98 99 99 278 59.7 0.343 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1016 Hexadecene 18.6354 1832.7 2.9 scans 90% TIC 0.30% 0.210% 1193 1.3 365 347458 4.74% 7384878 6921360 166493573 0-1 0.997 18.10 40.3 81 80 92 97 280 52.1 2.038 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6596 1834.5 2.6 scans 47% 285 m/z (70) 1.8% 0.0248% 1195 1.0 137 55407 873288 830725 1-1 12: 285 117 132 286 145 118 201 300 287 146 61 241 0.952 18.73 -5.2 93 95 82 95 300 13.9 1.030 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8637 1850.1 2.7 scans 93% 81 m/z 0.37% 0.279% 1214 1.0 442 276731 9812280 9322949 1-2 20: 81 82 95 68 57 123 69 55 83 67 79 96 71 124 97 109 111 53 56 278 0.998 18.87 -0.5 95 93 96 97 278 49.7 1.261 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1072 Fructose 18.9542 1857.0 2.7 scans 84% 73 m/z 0.41% 0.0931% 1223 1.0 269 250641 3272542 3119460 2-1 20: 73 103 307 217 147 308 218 277 133 104 205 189 74 309 364 117 89 219 172 148 0.998 19.03 -6.0 95 94 95 94 364 25.6 0.904 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1002 Phytol 18.8min 19.1110 1869.0 2.9 scans 96% TIC 0.17% 0.627% 1238 0.6 627 597645 22050526 20892716 1-1 0.999 18.84 20.7 93 92 98 92 278 84.8 1.829 0.271 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1110 1869.0 2.8 scans 95% 81 m/z 0.17% 0.546% 1238 0.8 622 596917 19208597 18599261 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 40.6 92 95 98 99 278 83.9 1.820 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1064 Mannose 19.2741 1881.4 2.7 scans 86% 73 m/z 0.32% 0.145% 1253 1.0 320 320718 0.155% 5096914 5038996 5444410 1-0 20: 73 319 205 147 160 320 217 103 206 321 117 74 133 229 148 161 189 207 157 89 0.987 19.45 -13.8 97 96 95 97 319 115.0 12.899 -0.181 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BRA4_R~2-N1004 Galactose 19.5213 1900.3 2.8 scans 72% 319 m/z 1.3% 0.0491% 1277 0.8 186 79597 1727847 1727628 1-0 10: 319 160 320 103 217 321 229 148 161 218 0.968 19.36 12.2 88 87 67 89 364 0.0 0.000 0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9275 1932.9 2.9 scans 67% 204 m/z (69) 0.87% 0.0477% 1315 1.0 169 119286 0.0551% 1678658 1478456 1935400 5-3 12: 204 159 205 217 206 218 305 160 191 219 243 89 0.982 19.91 1.2 89 90 91 92 361 8.1 0.229 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2894 1962.0 2.7 scans 38% 204 m/z 2.0% 0.0134% 1350 1.1 100 51336 470687 423914 2-1 9: 204 191 205 217 206 192 189 218 193 0.989 20.41 -10.0 85 84 86 86 217 23.8 5.625 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8050 2003.6 2.9 scans 94% 73 m/z 0.14% 0.758% 1399 0.8 730 710871 0.797% 26657574 25652285 27994805 1-1 20: 73 75 79 67 93 95 91 129 108 80 55 117 81 94 307 121 77 107 135 145 0.998 20.27 43.4 82 83 94 99 322 50.2 0.473 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1038 C16:0 21.1712 2034.4 3.3 scans 97% 313 m/z 0.027% 2.81% 1434 0.3 1271 3812135 99035012 95290846 1-1 20: 313 117 73 132 75 129 145 314 55 328 131 133 118 201 57 315 69 269 285 74 1.000 20.62 46.1 94 99 99 100 328 146.8 1.334 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6762 2076.8 2.8 scans 86% 305 m/z (67) 0.49% 0.149% 1482 0.9 316 209462 5263742 5089671 1-1 18: 305 217 147 318 191 306 265 319 218 204 307 432 320 433 148 291 367 219 0.996 21.75 -6.1 95 96 95 96 507 19.2 0.368 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9730 2101.8 3.3 scans 70% TIC 1.5% 0.0496% 1510 0.9 184 68158 0.159% 1745518 1743793 5584911 0-1 0.967 22.33 -31.2 94 96 93 97 342 22.1 1.441 -0.357 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1897 2120.8 3.1 scans 30% 396 m/z 3.6% 0.0129% 1530 1.2 89 28460 0.0139% 456148 432828 488241 1-1 11: 396 219 397 381 398 220 382 191 307 249 221 0.886 22.19 0.3 91 92 77 92 396 40.8 21.111 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2019 2209.6 6.5 scans 92% TIC 0.037% 7.74% 1627 0.3 1506 2760189 8.66% 272083050 250208788 304184460 0-7 0.987 23.12 7.8 97 97 98 96 350 104.7 0.484 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1036 C18:0 23.4239 2229.9 2.7 scans 92% 341 m/z 0.10% 0.672% 1648 0.7 695 1037117 23613055 22681576 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 69 131 118 201 343 74 116 83 0.999 22.89 48.1 93 99 98 99 356 87.7 1.594 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7280 2257.7 2.9 scans 7.4% 163 m/z 2.5% 0.00607% 1677 1.0 64 41207 0.00980% 213290 205071 344227 1-0 4: 163 331 88 332 0.680 23.72 0.8 83 88 51 87 331 17.8 7.826 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1004 Prostaglandin 23.7733 2261.8 5.3 scans 43% TIC 0.91% 0.0545% 1681 0.3 198 113730 0.192% 1915857 1915857 6744043 0-0 0.791 23.76 1.4 93 94 72 93 360 17.8 0.805 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1605 2297.2 3.4 scans 24% 204 m/z (117 333) 1.3% 0.0231% 1718 0.8 115 80305 0.0333% 812772 805305 1169670 0-2 9: 204 205 337 217 206 219 338 229 339 0.902 24.01 13.7 85 90 76 91 490 0.0 0.000 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1018 myo-Inositol 25.2295 2398.7 3.1 scans 54% 318 m/z 0.98% 0.0777% 1819 0.9 211 105815 0.0864% 2731383 2269911 3034820 14-4 17: 318 315 299 387 319 316 389 320 300 317 388 191 433 301 246 432 343 0.964 25.21 1.9 97 96 93 98 470 15.1 0.514 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6378 2439.1 3.6 scans 41% 91 m/z 0.69% 0.0402% 1858 1.4 147 150092 0.0538% 1412518 1325691 1889737 4-3 14: 91 117 194 207 92 208 115 193 312 65 118 51 63 102 0.965 25.61 2.8 97 98 96 97 312 18.0 1.489 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5732 2533.1 2.9 scans 30% 512 m/z 1.6% 0.0380% 1947 1.1 161 61920 1337947 1282098 1-1 15: 512 455 247 513 456 514 483 349 263 457 484 235 409 515 234 0.954 26.57 -0.0 93 93 79 94 512 57.5 12.748 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9562 2572.6 3.1 scans 91% 371 m/z 0.031% 1.54% 1983 0.6 986 3358095 54287861 51151856 1-1 20: 371 372 73 147 129 205 57 203 239 373 459 103 55 71 116 145 75 117 101 313 1.000 26.39 58.0 90 97 97 100 459 124.9 1.610 0.562 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9316 2675.8 3.0 scans 81% 73 m/z 0.26% 0.382% 2076 1.1 545 401332 1.11% 13451370 13451370 38989001 0-0 20: 73 161 109 205 57 160 145 287 214 147 286 75 201 83 127 517 186 172 312 301 0.997 27.91 2.4 99 97 99 100 662 25.3 0.215 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0568 2689.2 3.4 scans 46% TIC 0.96% 0.0361% 2088 1.2 257 108481 0.811% 1270757 1270757 28486559 0-0 0.977 28.03 2.5 93 92 92 98 574 23.4 0.826 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.4177 2729.2 3.4 scans 55% 399 m/z 0.52% 0.121% 2122 1.2 265 199381 0.132% 4272519 4106135 4636530 1-1 8: 399 400 401 116 488 187 429 339 0.844 28.19 25.3 95 96 89 97 487 34.3 1.675 0.225 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1030 C18:0-2-glycerol 28.7112 2762.2 3.6 scans 91% TIC 0.11% 1.30% 2150 0.7 884 899578 2.34% 45911244 43226723 82193030 1-0 0.999 28.67 4.9 92 90 91 94 457 144.4 2.666 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8508 2890.4 4.1 scans 34% 57 m/z (267) 0.89% 0.0967% 2259 0.9 179 116422 0.146% 3396987 2688503 5128283 2-5 14: 57 71 85 99 70 56 113 127 84 141 126 140 112 182 0.973 29.83 2.7 81 79 96 94 408 8.8 0.243 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1042 C20:0-2-glycerol 30.4211 2957.6 3.4 scans 86% TIC 0.13% 1.15% 2313 1.2 809 768266 1.44% 40579632 39808671 50580326 1-0 0.984 30.38 4.7 91 86 77 100 485 125.3 2.399 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4937 2966.2 3.7 scans 58% 57 m/z 0.26% 0.188% 2320 1.1 329 392966 0.485% 6605919 6216737 17035735 0-3 20: 57 71 56 85 393 55 99 83 69 70 392 97 394 113 127 141 111 58 365 84 0.992 30.46 3.6 98 98 98 99 393 75.3 5.244 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2407 3055.0 3.4 scans 82% 57 m/z 0.082% 0.655% 2391 0.7 630 1260669 23011169 22177628 3-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 98 394 58 0.977 31.21 3.5 98 96 99 100 393 95.3 2.289 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1048 Hentriacontane 31.5480 3091.4 3.0 scans 82% 57 m/z 0.061% 0.823% 2420 0.7 738 1711379 28911852 28490411 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 125 58 0.990 31.53 1.9 96 94 98 99 436 41.3 0.313 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7026 3109.8 4.2 scans 24% 204 m/z 0.84% 0.0347% 2435 1.2 160 123161 0.187% 1219040 1101957 6568417 0-5 13: 204 205 217 597 337 129 191 206 598 147 361 243 599 0.915 31.68 3.2 90 90 85 93 597 20.0 1.561 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8415 3126.3 3.0 scans 79% 502 m/z 0.081% 0.475% 2448 0.8 565 1274877 16686613 16015697 1-1 15: 502 237 503 73 236 238 504 277 221 223 208 239 74 505 193 0.996 31.79 5.9 100 99 99 100 502 273.4 23.392 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9688 3141.4 3.3 scans 69% 329 m/z 0.46% 0.341% 2460 1.1 457 225869 0.353% 12009899 10897599 12399205 1-1 16: 329 129 368 458 353 95 330 121 107 119 105 328 145 369 93 159 0.985 31.87 12.0 96 94 95 98 458 66.2 2.091 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1446 3162.3 3.3 scans 72% 57 m/z 0.081% 0.655% 2477 0.6 629 1282111 0.724% 23015282 22123483 25430664 3-0 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 111 127 84 141 58 155 0.993 32.11 4.1 97 95 99 99 421 144.6 5.277 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1004 Campesterol 32.8095 3241.3 3.8 scans 52% 343 m/z 0.24% 0.663% 2540 0.8 580 421602 23292494 21587494 4-1 17: 343 129 382 472 367 95 107 121 119 344 145 383 342 105 159 93 255 0.890 32.21 71.2 82 95 83 97 472 90.1 2.414 0.600 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1046 Stigmasterol 33.0210 3266.4 3.3 scans 90% 83 m/z 0.089% 1.76% 2560 0.5 1032 1169107 62084003 60963766 1-0 20: 83 129 55 255 69 81 73 394 484 75 133 159 119 105 107 145 93 95 97 91 0.996 32.98 4.6 96 95 98 98 665 0.0 0.000 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1263 3278.9 3.0 scans 80% 57 m/z 0.064% 0.768% 2570 0.7 724 1629648 26995757 26897041 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 112 155 82 125 0.990 33.10 3.5 89 87 97 93 515 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN WTF2-N1034 b-Sitosterol 33.5061 3324.0 3.5 scans 75% 129 m/z 0.23% 0.713% 2606 0.7 663 446365 1.08% 25077175 25002856 37935244 1-1 19: 129 357 396 486 381 95 75 119 358 107 121 397 81 145 57 105 356 159 55 0.989 32.88 74.7 84 96 98 99 486 92.5 1.944 0.629 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6050 3335.7 9.3 scans 71% 129 m/z (386) 0.20% 0.686% 2615 1.1 577 500503 3.43% 24120065 24120065 120479526 0-0 20: 129 75 57 257 145 143 97 215 199 258 171 67 155 131 189 149 241 130 146 158 0.978 33.63 -2.4 95 95 95 99 505 136.4 5.593 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6145 3336.9 3.6 scans 12% 386 m/z (505) 1.5% 0.100% 2616 1.2 232 68801 0.178% 3519407 3470241 6252290 1-3 8: 386 296 387 371 379 388 394 228 0.712 33.58 3.6 83 89 65 91 505 10.8 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7176 3349.1 >4 scans 55% 505 m/z 0.45% 0.291% 2626 1.2 435 229215 1.74% 10225706 10225706 61117894 0-0 10: 505 491 271 506 492 223 507 289 201 493 0.973 33.69 2.9 94 92 90 97 505 89.9 4.273 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9112 3372.1 3.5 scans 10% 441 m/z 1.0% 0.0207% 2644 1.1 107 95370 729964 729964 0-0 6: 441 442 308 646 443 647 0.720 33.80 13.7 92 92 65 94 646 21.6 4.034 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4731 3438.8 4.0 scans 79% 271 m/z 0.17% 1.01% 2698 0.9 725 585382 1.70% 35770182 33802358 59712885 1-0 20: 271 331 505 73 109 361 241 223 169 506 127 103 475 201 217 272 332 199 243 289 0.997 34.52 -5.4 100 99 99 100 505 162.6 5.032 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5415 3447.0 >6 scans 61% TIC 0.38% 0.304% 2704 0.9 496 269368 1.28% 10696753 10696753 44960290 0-0 0.993 34.59 -5.6 99 98 97 99 596 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6067 3454.7 4.0 scans 20% 596 m/z (331) 0.47% 0.0889% 2711 0.9 205 217965 3123250 3014093 4-1 13: 596 597 598 316 302 599 318 315 356 303 300 600 304 0.887 34.47 16.0 95 97 86 99 596 113.0 30.339 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN EXBLK5S-N1006 Contamination 6.3719 1048.3 1.9 scans 60% 207 m/z 0.65% 0.0222% 27 1.2 177 155579 993890 976500 1-0 14: 207 295 208 209 296 191 297 279 193 189 177 210 192 247 0.862 6.63 -15.0 98 97 93 98 295 54.4 9.495 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1192 Contamination 8.1049 1151.0 2.5 scans 95% 73 m/z 0.10% 0.342% 192 0.7 534 955732 15320371 12616026 24-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 103 160 75 149 100 131 134 221 0.997 7.99 6.8 97 95 96 96 235 109.9 4.233 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1188 Contamination 8.3164 1163.6 2.8 scans 78% TIC 1.8% 0.0183% 212 1.4 122 53634 0.0239% 821642 781897 1068053 0-3 0.977 8.41 -5.8 98 97 80 99 369 35.6 8.485 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1186 Phosphate 8.6131 1181.2 2.2 scans 92% 241 m/z 0.28% 0.0478% 240 1.2 240 363819 2138797 2128563 0-2 20: 241 242 133 211 163 243 256 73 195 135 98 59 89 137 212 257 164 121 181 119 0.998 8.56 3.2 100 99 98 100 299 0.0 0.000 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LACTIC~1-N1034 Glycerol 10.0525 1265.6 >5 scans 6.3% 218 m/z (299) 1.2% 0.0449% 377 0.7 149 84101 0.0862% 2007240 2007240 3852143 0-0 2: 218 220 0.696 10.11 -3.4 86 93 55 90 293 14.2 0.911 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN VEN77_S6-N1002 Glycerol 10.1041 1268.6 5.2 scans 96% TIC 0.012% 3.18% 382 0.3 1292 8411044 142122334 138077337 2-1 1.000 10.09 0.6 98 97 93 99 299 720.1 31.207 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7270 1305.2 3.3 scans 64% 73 m/z (175) 1.1% 0.0496% 441 0.6 185 89180 0.0630% 2220415 2088520 2815371 5-2 14: 73 117 131 129 118 74 61 116 134 119 72 115 60 211 0.964 10.73 -0.4 93 94 92 98 209 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0532 1324.9 2.8 scans 58% 184 m/z 3.6% 0.00866% 472 0.9 89 27947 387271 356107 11-0 14: 184 134 285 174 100 77 86 227 185 59 286 135 130 175 0.966 11.06 -0.6 96 96 88 96 285 27.9 9.890 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4109 1346.4 5.7 scans 69% 57 m/z (193) 0.68% 0.0708% 506 0.7 180 148951 0.0742% 3168031 2950553 3315881 4-1 11: 57 97 115 145 127 129 111 109 72 87 110 0.960 11.45 -2.1 96 97 97 99 145 52.5 8.479 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4509 1348.8 2.7 scans 93% 84 m/z 0.046% 0.399% 510 0.8 614 2172877 17853988 17336247 2-1 20: 84 133 162 161 119 92 118 85 82 51 65 130 78 134 117 63 50 120 77 163 0.986 10.96 29.8 93 92 96 98 161 158.9 6.708 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1146 Malic acid 13.4764 1474.0 2.5 scans 93% 73 m/z 0.21% 0.118% 702 1.1 350 477075 5289688 5145607 1-1 20: 73 147 233 245 189 133 190 148 75 74 191 175 149 335 101 234 55 177 307 217 0.997 13.62 -8.8 99 98 97 98 350 8.2 0.055 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6822 1552.6 3.0 scans 88% 174 m/z 0.29% 0.0616% 817 1.1 236 340538 0.0631% 2756027 2756027 2819840 0-0 20: 174 73 175 86 176 250 100 59 91 74 130 162 251 177 87 117 65 121 131 116 0.998 14.16 34.3 90 90 90 97 250 44.1 3.498 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1044 Dodecanol 14.7327 1555.9 >3 scans 83% TIC 1.0% 0.0227% 822 1.1 149 100125 0.0997% 1014441 1012766 4455436 0-1 0.995 14.24 32.5 95 97 95 98 243 78.6 27.729 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 14.8853 1566.1 2.8 scans 70% TIC 1.4% 0.0108% 836 0.8 99 71443 0.0136% 486549 465828 607763 1-0 0.917 15.44 -36.9 81 85 76 86 393 0.0 0.000 -0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1963 1655.5 2.8 scans 61% 290 m/z 1.1% 0.0194% 961 1.7 126 92140 869087 825665 1-3 9: 290 291 292 392 158 144 115 393 293 0.863 16.28 -5.6 92 88 82 98 392 17.4 1.915 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5477 1679.9 2.8 scans 81% 55 m/z 0.80% 0.0429% 994 1.3 197 127005 0.0612% 1917368 1714974 2734932 1-5 18: 55 83 69 97 56 70 84 111 82 127 98 113 68 140 96 112 67 125 0.981 16.63 -5.5 95 95 93 94 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1010 Glycerol-P 17.4842 1747.2 3.9 scans 100% 69 m/z 0.035% 1.80% 1083 0.7 1213 2865956 4.07% 80548501 80548501 181881908 0-0 20: 69 71 57 55 111 83 161 175 125 112 84 97 214 107 162 392 126 98 122 450 1.000 16.97 37.7 96 99 99 99 445 191.9 2.504 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4385 1817.7 4.5 scans 95% TIC 0.029% 2.77% 1174 0.5 1272 3471071 123884558 120081343 1-3 0.982 17.91 39.5 95 99 98 100 327 121.5 0.914 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1012 Phytol 18.5753 1828.1 3.2 scans 97% 68 m/z 0.058% 1.51% 1187 0.5 1078 1755909 1.71% 67760883 63222137 76417215 11-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 40.0 94 98 99 99 278 64.0 0.352 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1016 Hexadecene 18.6353 1832.7 2.8 scans 91% TIC 0.22% 0.198% 1193 1.3 424 448698 4.23% 8886864 8569578 189032057 0-1 0.997 18.10 40.3 85 85 92 97 280 61.9 2.127 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6574 1834.4 2.7 scans 46% 285 m/z 1.7% 0.0228% 1195 1.0 143 58267 0.310% 1023291 897134 13853413 13-1 14: 285 117 132 129 286 145 118 300 116 241 201 257 130 134 0.996 18.73 -5.3 95 94 82 94 300 14.2 0.983 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8615 1849.9 2.6 scans 94% 81 m/z 0.30% 0.219% 1214 1.0 473 330928 9798819 9720438 0-4 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 97 124 109 278 53 111 110 0.994 18.58 21.5 96 94 98 99 278 55.4 1.377 0.283 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1072 Fructose 18.9488 1856.6 2.7 scans 81% 73 m/z 0.54% 0.0596% 1222 1.0 235 185623 2663668 2569851 8-0 20: 73 103 307 217 147 308 218 277 133 309 205 104 74 189 364 117 89 219 148 172 0.989 19.03 -6.4 93 93 93 93 364 22.6 0.922 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BRA4_R~2-N1004 Galactose 19.2697 1881.1 2.8 scans 73% 73 m/z (71) 0.74% 0.0468% 1253 0.8 209 136516 0.0883% 2094198 2022467 3945988 0-1 20: 73 319 205 160 147 320 217 321 103 206 229 117 74 207 133 148 189 157 89 161 0.982 19.36 -7.0 94 95 92 97 364 13.3 0.407 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9221 1932.5 3.1 scans 86% TIC 0.24% 0.123% 1315 1.2 302 414935 0.144% 5502983 4537909 6435134 0-2 0.988 19.91 0.8 96 94 94 99 361 14.5 0.231 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2841 1961.6 2.7 scans 33% 204 m/z 2.1% 0.00866% 1349 1.0 94 46346 0.0132% 387177 384948 589887 1-1 9: 204 191 205 217 192 206 218 189 193 0.973 20.41 -10.4 82 82 83 83 217 23.2 6.139 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8028 2003.4 2.9 scans 95% TIC 0.14% 0.616% 1399 0.8 740 694950 0.689% 27566703 27192341 30790328 1-3 1.000 20.27 43.2 82 82 94 98 322 50.8 0.472 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1038 C16:0 21.1711 2034.4 3.6 scans 97% 313 m/z 0.024% 2.55% 1434 0.4 1356 4136692 114373184 112620098 0-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 69 269 315 74 116 1.000 20.62 46.1 94 99 99 100 328 157.2 1.346 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6677 2076.1 2.8 scans 44% 217 m/z 2.0% 0.0232% 1481 1.0 147 48560 1040704 935972 7-2 19: 217 305 318 147 191 306 265 319 218 307 432 367 255 320 192 291 433 266 393 0.924 21.75 -6.8 86 85 69 88 507 6.4 0.190 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9707 2101.6 3.6 scans 51% 327 m/z 2.2% 0.0337% 1510 1.7 153 46092 0.0390% 1508111 1362660 1742849 3-1 14: 327 117 132 145 328 129 342 329 118 201 146 116 185 299 0.909 22.33 -31.4 92 95 89 97 342 19.0 1.546 -0.359 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4063 2139.7 3.3 scans 15% 204 m/z 4.1% 0.00417% 1551 1.2 58 24302 0.0380% 186747 154698 1698160 4-4 4: 204 249 205 206 0.736 22.71 -26.8 85 90 61 89 518 0.0 0.000 -0.308 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1040 Phytol 22.6252 2158.8 3.3 scans 88% 143 m/z 0.074% 0.288% 1572 1.3 470 1373638 0.298% 12887477 12089863 13317152 4-3 18: 143 73 75 144 123 81 57 55 124 145 95 103 97 82 83 67 74 96 0.997 22.08 47.3 81 82 90 96 181 8.4 0.032 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2039 2209.8 7.3 scans 94% TIC 0.037% 6.23% 1627 0.2 1558 2714236 7.35% 278664966 278664966 328459958 0-0 0.999 23.12 8.0 96 95 99 95 350 112.8 0.525 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1036 C18:0 23.4238 2229.9 2.8 scans 91% 341 m/z 0.082% 0.635% 1648 0.7 767 1232862 28389764 26820327 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 201 343 74 297 116 1.000 22.89 48.1 93 99 99 99 356 99.2 1.675 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1004 Prostaglandin 23.7711 2261.6 3.4 scans 38% 73 m/z (333) 1.3% 0.0580% 1681 0.7 183 72963 0.0978% 2596112 1956140 4370528 4-0 20: 73 169 231 143 211 156 195 182 147 170 360 181 221 235 317 183 345 196 223 236 0.962 23.76 1.2 88 90 81 90 360 17.1 0.878 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1583 2297.0 3.6 scans 21% 204 m/z 0.88% 0.0204% 1718 0.9 129 114721 0.0251% 914076 863404 1121680 0-3 11: 204 205 217 337 147 206 219 338 218 361 362 0.663 24.18 -2.1 86 88 65 89 581 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1018 myo-Inositol 25.2252 2398.3 3.1 scans 61% 318 m/z 0.54% 0.106% 1819 1.0 291 188348 0.113% 4780149 4053722 5049793 13-5 17: 318 315 299 319 387 316 389 320 300 191 317 388 301 433 432 246 343 0.977 25.21 1.5 96 95 94 99 470 21.3 0.533 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6398 2439.3 3.9 scans 31% 91 m/z 0.66% 0.0325% 1858 1.4 151 152949 0.0420% 1452741 1394190 1876914 4-3 16: 91 117 194 207 208 115 92 312 65 193 104 51 118 102 297 180 0.973 25.61 3.0 94 94 95 97 312 18.6 1.512 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3931 2514.5 3.4 scans 50% 204 m/z (161 161) 0.16% 0.170% 1930 1.3 355 621519 0.293% 7635759 6975415 13093710 0-1 14: 204 73 217 205 147 219 206 218 133 74 191 305 101 148 0.927 25.86 53.8 81 93 90 98 361 16.0 0.202 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5720 2533.0 3.2 scans 23% 512 m/z 1.8% 0.0305% 1947 1.2 158 54246 0.0307% 1363004 1352928 1371935 0-2 19: 512 455 247 513 456 483 514 248 457 349 497 263 423 484 515 235 353 409 264 0.954 26.57 -0.1 93 94 76 94 512 57.2 13.172 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9497 2572.0 3.2 scans 90% 371 m/z 0.034% 1.07% 1983 0.7 952 2987366 48060695 46960747 1-2 20: 371 372 73 147 57 129 205 203 239 459 373 103 71 55 116 75 145 117 85 101 1.000 26.39 57.4 90 98 97 100 459 120.1 1.598 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1010 Sucrose 27.4369 2623.0 3.2 scans 30% 361 m/z 0.62% 0.0607% 2029 1.0 226 163900 2713893 2413294 1-9 12: 361 362 437 363 438 271 451 439 364 452 440 272 0.839 27.58 -15.2 97 98 88 97 437 41.8 3.418 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN LQC1-N1008 Sucrose 27.4369 2623.0 3.2 scans 31% 361 m/z (397) 0.62% 0.0685% 2029 1.0 229 163000 3065259 2725741 1-9 12: 361 362 437 363 438 271 451 439 364 452 440 272 0.930 27.59 -16.5 93 95 90 97 437 41.7 3.317 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8609 2668.3 3.4 scans 91% 73 m/z 0.12% 0.851% 2069 0.9 813 807681 2.46% 38072980 37303834 109933537 1-0 20: 73 161 109 205 57 160 145 287 214 147 286 127 75 201 517 186 312 172 301 129 1.000 27.91 -5.1 97 95 98 100 662 37.1 0.208 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0598 2689.5 8.3 scans 59% TIC 0.49% 0.0854% 2088 1.7 379 204863 1.71% 3816680 3816680 76417215 0-0 0.993 28.03 2.8 92 88 89 98 574 37.1 0.956 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.4228 2729.8 3.6 scans 70% 399 m/z 0.26% 0.188% 2123 1.1 379 380959 8420919 7933943 1-3 9: 399 400 147 103 203 487 341 116 101 0.975 28.19 25.9 95 96 94 97 487 46.8 1.523 0.230 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1030 C18:0-2-glycerol 28.7311 2764.5 5.8 scans 89% TIC 0.059% 3.20% 2152 0.9 1259 1717102 143098428 140155557 11-0 0.988 28.67 7.2 92 90 91 94 457 202.5 2.589 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1042 C20:0-2-glycerol 30.4315 2958.8 3.6 scans 91% TIC 0.062% 1.93% 2314 0.7 1172 1637115 2.08% 86334482 81856098 92951934 1-2 0.971 30.38 5.9 93 88 78 100 485 186.4 2.529 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4956 2966.5 4.3 scans 39% 57 m/z 0.51% 0.0741% 2320 1.7 220 198301 0.250% 3315298 3161920 11172107 0-1 12: 57 71 56 393 85 99 70 127 141 364 58 225 0.882 30.46 3.9 94 94 84 96 393 54.4 6.079 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2406 3054.9 3.2 scans 87% 57 m/z 0.069% 0.595% 2391 0.7 705 1470053 0.688% 26594990 25876476 30745640 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 421 394 98 0.997 31.21 3.4 98 96 98 100 393 107.9 2.342 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1048 Hentriacontane 31.5468 3091.3 3.3 scans 81% 57 m/z (189) 0.071% 0.583% 2420 0.6 682 1423118 26079569 25325993 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 82 0.996 31.53 1.8 98 99 100 100 436 39.3 0.331 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6983 3109.3 7.4 scans 15% 204 m/z 1.4% 0.00821% 2434 1.3 113 72712 0.0608% 367287 332895 2717057 0-1 10: 204 337 597 217 361 205 206 598 73 191 0.882 31.68 2.7 83 85 75 85 597 15.1 1.770 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8456 3126.8 3.2 scans 86% 502 m/z 0.044% 0.697% 2448 0.6 768 2276787 31189690 29709545 1-1 18: 502 237 503 73 236 504 238 57 277 221 223 208 71 55 74 239 505 193 1.000 31.79 6.4 100 99 99 100 502 374.6 23.832 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9698 3141.5 3.7 scans 78% TIC 0.32% 0.378% 2460 1.1 549 314747 0.462% 16921212 16061400 20646054 1-0 0.991 31.87 12.1 96 94 95 98 458 79.8 2.112 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1381 3161.5 3.4 scans 77% TIC 0.077% 0.461% 2476 0.8 661 1309468 0.965% 20635652 20635652 43124335 0-0 0.991 32.11 3.3 96 93 98 99 421 148.5 5.042 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1004 Campesterol 32.8084 3241.1 3.7 scans 48% 129 m/z 0.26% 0.429% 2540 0.8 570 385436 19204403 19045206 1-0 19: 129 343 382 472 367 95 107 344 75 119 121 145 105 383 342 81 159 93 109 0.930 32.21 71.0 82 95 82 96 472 89.2 2.448 0.598 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1046 Stigmasterol 33.0188 3266.1 3.5 scans 90% 83 m/z 0.090% 1.42% 2560 0.5 1048 1120718 63592878 62479851 1-0 20: 83 129 55 255 394 69 81 484 73 75 133 159 119 105 145 107 93 351 95 355 0.996 32.98 4.3 96 94 98 97 665 0.0 0.000 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1240 3278.6 3.1 scans 80% 57 m/z 0.066% 0.611% 2570 0.6 720 1535938 27310221 26306610 1-1 20: 57 71 85 55 99 83 69 97 113 56 70 127 84 111 141 98 155 112 125 126 0.991 33.10 3.2 90 88 97 93 515 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN WTF2-N1034 b-Sitosterol 33.5039 3323.7 3.4 scans 75% 129 m/z 0.22% 0.548% 2606 0.7 677 450316 1.17% 24533233 23792764 52285463 3-1 19: 129 357 396 486 381 95 107 75 121 145 119 105 57 81 358 356 397 159 55 0.991 32.88 74.4 85 97 98 99 486 95.1 1.970 0.627 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6133 3336.7 9.8 scans 85% 505 m/z 0.089% 1.82% 2616 0.9 1038 1143100 3.67% 81587253 77913929 164006537 1-0 20: 505 271 361 73 491 169 506 109 103 223 362 492 127 272 289 201 129 147 507 217 1.000 33.63 -1.4 96 94 90 100 505 265.5 6.543 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7280 3350.4 >4 scans 43% 505 m/z 0.39% 0.308% 2627 1.1 489 259136 3.41% 13771538 13766087 152387545 0-1 10: 505 491 506 492 507 493 508 494 504 401 0.938 33.69 4.2 96 96 89 98 505 126.4 6.687 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9090 3371.8 3.6 scans 4.8% 441 m/z 2.1% 0.00733% 2644 1.0 74 47049 327650 327650 0-1 6: 441 442 646 308 443 647 0.932 33.80 13.4 89 89 59 92 646 14.9 4.111 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5014 3442.2 5.2 scans 88% TIC 0.070% 2.71% 2701 0.7 1180 1440281 4.24% 121196592 112535684 189478942 10-0 0.999 34.52 -2.0 100 99 99 100 505 262.0 4.932 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5655 3449.8 >5 scans 71% TIC 0.14% 0.871% 2707 1.7 824 715417 3.47% 38937070 36199764 155068851 0-1 0.996 34.59 -2.8 99 98 98 99 596 7.1 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6045 3454.5 4.0 scans 14% 596 m/z (505) 0.38% 0.0899% 2710 0.9 241 267327 4019510 3909467 1-1 12: 596 597 598 316 599 356 318 300 370 600 595 524 0.847 34.47 15.8 94 97 86 99 596 128.4 28.443 0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN EXBLK5S-N1006 Contamination 6.3604 1047.6 1.9 scans 77% 207 m/z 0.52% 0.0293% 26 1.1 189 201608 0.0310% 1183698 1126288 1248664 1-4 17: 207 73 295 208 209 296 191 297 279 74 193 84 189 210 177 192 247 0.992 6.63 -15.7 98 97 89 98 295 58.1 9.496 -0.265 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1192 Contamination 7.9608 1142.5 2.5 scans 96% 147 m/z 0.068% 0.496% 178 1.0 663 1525808 19996457 19151803 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 75 149 103 100 131 134 236 0.996 7.99 -1.7 99 98 97 99 235 136.3 4.227 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1026 Cadaverine NC 8.1186 1151.8 2.7 scans 64% TIC 3.1% 0.00483% 193 1.7 69 33953 194886 194886 0-0 0.990 7.74 22.6 95 95 87 95 216 16.8 5.885 0.383 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1188 Contamination 8.2986 1162.5 2.3 scans 64% 281 m/z 3.3% 0.00785% 210 1.2 90 31253 0.00856% 316308 315359 344793 1-1 11: 281 147 369 282 283 370 265 207 371 148 149 0.894 8.41 -6.9 95 94 73 97 369 26.4 8.602 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1186 Phosphate 8.4922 1174.0 2.3 scans 97% 241 m/z 0.092% 0.180% 229 1.0 412 1134996 7271653 7125752 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 137 147 134 212 181 257 1.000 8.56 -4.0 100 99 99 100 299 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1180 Benzoic acid 9.6612 1242.7 2.9 scans 50% 179 m/z 6.4% 0.00389% 340 0.8 54 16413 156773 139874 3-2 6: 179 105 135 77 180 51 1.000 9.76 -5.8 94 95 88 95 194 8.9 2.657 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN VEN77_S6-N1002 Glycerol 10.0336 1264.5 5.2 scans 96% 299 m/z 0.013% 3.16% 375 0.3 1201 7691244 127645737 127123609 0-1 20: 299 73 300 314 301 147 205 133 283 207 315 211 193 117 103 191 218 316 135 302 1.000 10.09 -3.5 98 96 90 99 299 666.6 30.994 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6597 1301.2 3.6 scans 81% TIC 1.0% 0.0853% 435 1.2 232 101175 3439840 3423599 1-0 0.871 10.73 -4.4 81 73 61 98 209 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9922 1321.2 2.7 scans 76% 184 m/z 1.6% 0.0244% 466 1.0 138 63921 986827 828108 7-1 20: 184 134 285 73 174 86 77 100 286 59 185 227 172 135 186 175 130 110 287 178 0.966 11.06 -4.3 98 97 93 98 285 42.4 9.500 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3668 1343.8 3.1 scans 28% 57 m/z (84) 0.40% 0.0790% 502 1.0 229 259962 0.0816% 3185600 2949820 3286807 4-2 20: 57 115 97 145 127 69 129 56 59 111 128 109 58 72 71 98 87 201 114 113 0.955 11.45 -4.7 96 99 96 99 145 68.4 8.937 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3868 1345.0 3.1 scans 88% TIC 0.055% 0.455% 504 0.7 556 1911406 0.465% 18364328 16828158 18729967 4-2 0.967 10.96 26.0 97 97 96 99 161 144.3 6.728 0.431 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN TAB_REP6-N1026 Malic acid 13.4480 1472.2 2.6 scans 89% TIC 0.54% 0.0584% 700 0.9 220 193741 0.105% 2355567 2195935 4229347 2-2 0.991 13.53 -5.4 96 95 93 96 335 26.0 1.396 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6580 1551.0 2.8 scans 89% 174 m/z 0.24% 0.0824% 815 1.1 252 422869 0.0882% 3320453 3217356 3552652 1-0 20: 174 73 175 86 176 250 100 59 91 130 251 74 162 117 87 177 65 121 172 158 0.995 14.16 32.7 90 90 90 97 250 49.2 3.817 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1044 Dodecanol 14.7117 1554.6 2.7 scans 92% TIC 0.41% 0.0590% 820 0.8 219 250793 0.198% 2380232 2360415 7975341 0-2 0.999 14.24 31.2 97 98 97 99 243 120.4 30.106 0.470 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1764 1654.1 2.9 scans 82% 290 m/z (156) 0.34% 0.0667% 959 1.8 211 307448 2690353 2575228 1-2 12: 290 291 292 392 158 144 131 293 115 393 100 172 0.990 16.28 -7.0 97 98 95 99 392 28.6 1.833 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5320 1678.8 2.8 scans 93% 55 m/z 0.29% 0.155% 993 1.2 333 351623 0.172% 6258962 5400849 6928074 9-3 20: 55 69 73 83 97 56 70 57 84 111 82 113 127 98 68 71 96 140 125 67 1.000 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1010 Glycerol-P 17.4674 1746.0 2.6 scans 96% 357 m/z 0.036% 1.66% 1082 0.6 1162 2900764 67257674 61915941 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 301 101 387 103 256 133 129 218 328 1.000 16.97 36.5 96 99 98 99 445 186.3 2.573 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4175 1816.1 4.1 scans 95% TIC 0.029% 2.82% 1172 0.6 1241 3592239 113894312 106016155 1-2 0.984 17.91 37.9 96 99 98 99 327 119.1 0.922 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1012 Phytol 18.5522 1826.3 2.9 scans 97% 68 m/z 0.069% 1.26% 1185 0.5 967 1511381 1.43% 51053806 50398560 57599683 1-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 110 70 1.000 18.04 38.2 94 98 99 99 278 57.7 0.356 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1016 Hexadecene 18.6132 1831.0 2.9 scans 90% TIC 0.29% 0.186% 1191 1.4 368 360287 4.12% 7523115 6956158 165951534 0-3 0.996 18.10 38.6 84 84 92 97 280 54.7 2.208 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6385 1832.9 2.7 scans 44% 285 m/z (70) 2.1% 0.0208% 1193 1.1 131 49366 841197 778688 2-1 14: 285 117 132 286 145 118 300 287 241 201 116 61 257 185 0.928 18.73 -6.8 93 95 81 95 300 13.3 1.030 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1002 Phytol 18.8min 18.8416 1848.4 2.7 scans 93% 82 m/z 0.42% 0.209% 1212 1.0 404 250102 8439521 7649301 1-10 20: 82 81 68 95 57 123 69 55 67 83 79 71 96 97 124 109 111 53 56 110 0.997 18.84 0.1 97 96 99 97 278 46.1 1.301 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9321 1855.3 2.7 scans 72% 73 m/z 1.0% 0.0317% 1221 0.9 165 101320 0.0392% 1280323 1232242 1578956 2-2 20: 73 103 307 217 147 308 277 218 309 104 189 133 205 89 364 302 117 172 148 263 0.978 18.40 40.3 92 95 96 98 364 16.3 0.967 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1018 Fructose 19.0510 1864.4 2.8 scans 55% 73 m/z 1.3% 0.0278% 1232 1.5 143 79875 0.0493% 1120314 997640 1985779 1-3 20: 73 307 103 217 147 308 277 218 309 104 89 262 205 364 74 189 148 219 133 117 0.972 18.52 40.1 88 93 91 95 364 15.0 1.093 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0888 1867.3 2.8 scans 95% 81 m/z 0.19% 0.435% 1236 0.8 585 531000 17523609 17068319 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 38.9 93 95 98 99 278 80.6 1.896 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1064 Mannose 19.2519 1879.7 3.5 scans 61% TIC 1.5% 0.0229% 1251 0.8 138 68899 0.351% 923007 923007 14138104 0-0 0.889 19.45 -15.5 91 91 85 91 319 49.7 12.975 -0.203 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BRA4_R~2-N1004 Galactose 19.2530 1879.8 2.7 scans 57% 319 m/z 1.7% 0.0220% 1251 0.9 134 59693 0.0237% 887313 828763 954624 0-1 9: 319 205 160 320 321 206 229 89 207 0.985 19.36 -8.3 93 92 89 94 364 8.9 0.448 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1068 Galactopyranose 19.3277 1885.5 2.8 scans 58% 204 m/z 1.6% 0.0239% 1258 1.4 132 64554 0.0518% 965554 892771 2086478 1-2 10: 204 191 205 192 206 193 189 243 219 305 0.861 19.32 1.0 82 80 82 86 435 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9064 1931.2 2.9 scans 89% TIC 0.24% 0.145% 1313 1.4 297 430895 0.165% 5850598 5144679 6646117 2-1 0.991 19.91 -0.5 96 93 94 99 361 13.8 0.216 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2673 1960.2 2.7 scans 35% 204 m/z 3.1% 0.00677% 1348 1.0 77 33286 272716 270388 2-0 6: 204 191 205 206 192 218 0.970 20.41 -11.8 82 83 80 83 217 19.4 6.413 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7850 2001.9 2.9 scans 95% TIC 0.14% 0.672% 1397 0.8 729 721891 0.763% 27095290 26011621 30733257 1-3 0.999 20.27 41.7 82 82 94 98 322 50.2 0.474 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1038 C16:0 21.1511 2032.7 3.3 scans 96% 313 m/z 0.026% 2.58% 1432 0.4 1297 3983662 104163748 97627065 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 201 69 74 315 116 269 1.000 20.62 44.4 94 99 99 100 328 149.2 1.325 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6509 2074.7 2.8 scans 40% 217 m/z 3.1% 0.0191% 1479 1.0 126 33643 772845 713899 3-1 18: 217 305 87 318 191 306 255 298 319 265 218 143 307 320 432 192 367 433 0.960 21.75 -8.2 82 81 58 84 507 5.9 0.221 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9529 2100.1 3.1 scans 58% 327 m/z 1.7% 0.0401% 1508 1.4 168 60800 0.0477% 1618433 1547378 1921332 2-2 13: 327 117 132 129 145 328 342 329 118 201 146 283 299 0.889 22.33 -32.9 91 94 88 97 342 20.9 1.540 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1718 2119.2 3.2 scans 9.6% 396 m/z 12% 0.00240% 1529 1.4 40 8266 0.00343% 97037 87259 138159 1-0 4: 396 219 397 381 0.925 22.19 -1.3 80 82 47 85 396 21.9 29.330 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3875 2138.0 3.1 scans 25% 204 m/z (327) 4.1% 0.00603% 1549 1.2 64 25584 0.0645% 242937 231620 2598028 5-2 4: 204 249 205 206 0.833 22.71 -28.5 83 89 77 89 518 0.0 0.000 -0.327 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1040 Phytol 22.6084 2157.3 3.2 scans 91% TIC 0.077% 0.318% 1570 1.3 456 1360616 0.372% 12840877 11274099 14983973 6-1 0.997 22.08 45.8 81 82 90 97 181 9.2 0.041 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1840 2208.0 6.6 scans 90% 79 m/z 0.037% 6.42% 1625 0.2 1517 2806311 7.26% 258661938 258331020 292429160 0-1 20: 79 75 73 95 93 67 108 81 80 91 107 129 55 94 121 117 135 77 122 105 0.980 23.12 6.2 96 95 97 95 350 111.1 0.537 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1036 C18:0 23.4049 2228.1 2.7 scans 92% 341 m/z 0.084% 0.645% 1646 0.8 739 1238350 26017968 24959191 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 343 201 74 297 83 0.999 22.89 46.3 93 99 99 99 356 97.5 1.741 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7101 2256.0 2.7 scans 45% 163 m/z (195) 0.49% 0.0575% 1675 1.3 210 213454 2317808 2112550 2-3 6: 163 331 164 165 88 90 0.977 23.72 -0.9 89 89 87 95 331 44.0 4.389 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1004 Prostaglandin 23.7543 2260.1 2.9 scans 73% 73 m/z (163) 0.33% 0.225% 1679 0.8 385 312035 0.274% 9092212 7724797 11036583 4-0 19: 73 169 231 143 211 156 147 195 81 182 170 181 117 221 183 235 317 232 360 0.997 23.76 -0.3 97 98 97 98 360 32.9 0.729 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1404 2295.4 3.1 scans 37% 204 m/z 0.65% 0.0385% 1716 0.9 167 160756 0.0466% 1553856 1438068 1877025 1-10 16: 204 205 217 337 147 206 219 218 338 191 361 148 339 203 243 291 0.754 24.18 -3.7 90 92 80 92 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1018 myo-Inositol 25.2063 2396.5 3.8 scans 58% TIC 1.0% 0.0574% 1817 1.5 205 101062 0.267% 2314933 2314933 10754626 0-0 0.932 25.21 -0.3 97 97 93 98 470 14.4 0.492 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6230 2437.6 3.5 scans 51% 91 m/z 0.66% 0.0364% 1857 1.2 150 158542 0.0455% 1469092 1288244 1832717 6-4 16: 91 117 194 207 208 92 193 115 65 312 104 51 118 178 179 102 0.982 25.61 1.3 97 97 95 97 312 17.6 1.387 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2995 2504.8 3.0 scans 29% 204 m/z (161) 0.42% 0.0729% 1921 1.1 218 249166 0.251% 2937648 2529203 10110154 19-1 13: 204 217 206 219 218 306 220 293 291 221 333 192 345 0.879 25.86 44.1 80 88 84 97 361 13.5 0.381 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5542 2531.1 2.8 scans 58% 512 m/z 0.46% 0.111% 1945 1.0 295 226700 4510961 4445232 1-0 15: 512 455 247 513 456 483 514 263 207 248 349 457 497 484 249 0.966 26.57 -2.0 98 97 91 98 512 100.5 11.568 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9277 2569.7 2.8 scans 90% 371 m/z 0.046% 0.772% 1981 0.7 791 2239730 31097577 30440975 1-0 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 85 0.999 26.39 55.1 90 98 98 99 459 100.6 1.622 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1014 Sucrose 27.4191 2621.1 3.0 scans 31% 361 m/z 0.75% 0.0530% 2027 0.9 196 138530 0.0553% 2138640 1972581 2227456 0-16 10: 361 362 437 363 451 271 438 439 452 364 0.887 27.49 -7.6 97 97 87 97 437 37.5 3.666 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1010 Sucrose 27.4191 2621.1 3.0 scans 32% 361 m/z (397) 0.76% 0.0586% 2027 0.9 200 138435 0.0612% 2362765 2179304 2465105 0-16 10: 361 362 437 363 451 271 438 439 452 364 0.926 27.58 -17.1 95 97 90 97 437 37.5 3.536 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN LQC1-N1008 Sucrose 27.4254 2621.8 5.8 scans 41% TIC 0.75% 0.0695% 2028 1.5 235 139931 0.261% 2799549 2482731 10512949 2-0 0.822 27.59 -17.7 92 91 81 96 437 36.0 2.357 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9199 2674.6 2.9 scans 91% 73 m/z 0.11% 0.818% 2075 1.0 822 877159 2.35% 32950807 32950807 94656822 0-0 20: 73 161 109 205 57 145 160 214 287 147 286 75 127 201 83 517 186 312 172 217 1.000 27.91 1.2 98 96 99 100 662 37.5 0.208 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0409 2687.5 3.5 scans 67% TIC 0.46% 0.123% 2087 1.4 387 228149 1.92% 4994086 4994086 77336637 0-0 0.994 28.03 0.8 93 89 92 99 574 34.6 0.799 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.4029 2727.5 3.1 scans 75% 399 m/z 0.22% 0.203% 2121 1.0 391 466402 8208918 8027462 1-1 11: 399 400 147 103 203 487 205 401 116 101 145 0.961 28.19 23.6 97 97 95 98 487 50.2 1.651 0.210 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.7038 2761.4 3.6 scans 93% TIC 0.072% 2.28% 2150 0.9 1084 1453987 92076781 86745855 1-3 1.000 28.67 4.1 92 90 91 94 457 182.4 2.833 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1034 Nonacosane 29.5077 2851.8 3.3 scans 23% 57 m/z (204) 2.2% 0.0221% 2226 0.9 115 46265 0.0305% 893873 812734 1228525 1-5 9: 57 71 85 365 99 56 113 70 366 0.928 29.50 0.3 84 87 89 90 408 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8318 2888.3 4.0 scans 41% 57 m/z (218 267) 0.87% 0.0748% 2257 0.6 183 120466 3015606 2566001 3-8 16: 57 71 85 99 70 127 113 141 408 126 140 155 86 168 182 225 0.969 29.83 0.6 87 91 98 95 408 11.9 0.426 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1042 C20:0-2-glycerol 30.4052 2955.7 3.2 scans 87% TIC 0.098% 1.23% 2311 0.9 916 1070068 1.40% 49777865 45727247 56391298 1-0 0.965 30.38 2.8 93 88 78 100 485 146.1 2.543 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4294 2958.6 4.1 scans 36% 193 m/z (189) 0.99% 0.0993% 2314 0.8 228 105329 4003080 3768394 3-1 7: 193 163 120 176 194 247 164 0.829 30.36 8.5 81 84 79 85 529 10.5 0.212 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4736 2963.8 3.4 scans 51% 57 m/z 0.40% 0.0972% 2318 1.1 257 257244 0.227% 3916031 3668230 9143446 0-1 15: 57 71 85 56 393 99 392 70 394 113 127 141 365 155 364 0.980 30.46 1.2 97 97 95 97 393 62.4 5.923 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2249 3053.1 3.3 scans 88% 57 m/z 0.067% 0.729% 2389 0.6 710 1568790 29402243 29375576 0-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 421 155 394 392 0.996 31.21 1.6 98 96 99 100 393 110.0 2.398 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1048 Hentriacontane 31.5279 3089.1 3.1 scans 83% 57 m/z (189) 0.067% 0.682% 2418 0.7 696 1561429 27492198 26375314 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 82 58 0.998 31.53 -0.4 98 99 100 100 436 41.8 0.361 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6826 3107.4 4.3 scans 18% 204 m/z 1.1% 0.0140% 2433 1.2 122 89436 0.0941% 566438 512379 3790301 0-2 14: 204 217 597 205 73 337 598 206 103 361 129 191 338 599 0.887 31.68 0.8 87 89 80 89 597 17.0 1.931 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8215 3123.9 2.8 scans 81% 502 m/z 0.073% 0.411% 2446 0.9 582 1426074 16561106 16395368 0-1 15: 502 237 503 73 236 504 238 277 221 223 208 239 74 505 193 0.997 31.79 3.5 100 99 99 100 502 287.0 24.346 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9509 3139.3 3.1 scans 71% 329 m/z 0.40% 0.325% 2458 1.0 483 257653 0.333% 13118156 12234669 13413073 1-1 16: 329 129 368 458 353 95 330 121 145 328 107 369 105 119 159 91 0.991 31.87 9.9 96 95 95 98 458 72.3 2.239 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1203 3159.4 3.0 scans 70% 57 m/z 0.095% 0.443% 2474 0.7 583 1103408 0.510% 17873614 17185088 20542544 3-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 127 111 141 84 58 155 0.992 32.11 1.2 97 95 98 99 421 136.8 5.504 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1004 Campesterol 32.7895 3238.9 3.7 scans 47% 343 m/z 0.33% 0.378% 2538 0.7 488 312410 15247237 14855016 4-0 16: 343 129 382 472 367 344 121 383 119 107 105 145 342 159 473 161 0.974 32.21 68.8 82 93 81 95 472 78.1 2.560 0.579 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1046 Stigmasterol 32.9968 3263.5 3.4 scans 86% 83 m/z 0.12% 1.22% 2558 0.5 901 874578 49415114 47766571 1-1 20: 83 129 255 394 484 55 69 81 73 133 159 75 119 105 145 351 107 355 93 95 0.994 32.98 1.7 95 94 98 97 665 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1041 3276.3 3.0 scans 76% 57 m/z 0.075% 0.597% 2568 0.7 672 1397393 24065578 23484559 1-1 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 84 141 98 155 112 126 82 0.990 33.10 0.9 84 79 96 93 515 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN WTF2-N1034 b-Sitosterol 33.4829 3321.2 3.5 scans 70% 129 m/z 0.27% 0.504% 2604 0.7 601 384658 1.06% 20301508 18987659 42696268 1-3 19: 129 357 396 486 381 95 75 107 119 358 121 57 145 105 356 397 81 55 159 0.992 32.88 71.9 85 97 98 99 486 86.6 2.076 0.606 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5902 3334.0 5.0 scans 86% 505 m/z 0.097% 1.73% 2614 1.1 966 1077419 3.66% 69684510 67714836 147422965 1-0 20: 505 271 361 73 491 169 506 109 103 492 362 223 127 272 289 507 201 129 147 217 1.000 33.63 -4.1 96 94 90 100 505 249.5 6.676 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7060 3347.7 >4 scans 48% 505 m/z (204) 0.38% 0.384% 2625 1.2 493 271473 3.64% 15499481 15499481 146617375 0-0 12: 505 491 271 506 492 169 507 493 272 508 257 494 0.990 33.69 1.5 95 96 96 99 505 125.2 6.447 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8901 3369.6 3.6 scans 3.9% 441 m/z 2.7% 0.00692% 2643 0.8 66 38509 279082 262340 1-1 8: 441 442 308 646 509 443 647 510 0.938 33.80 11.2 86 85 57 93 646 14.0 4.525 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4751 3439.1 5.0 scans 84% TIC 0.082% 2.46% 2698 0.7 1075 1269731 4.18% 99158862 87974681 168368304 11-0 0.999 34.52 -5.1 100 99 99 100 505 237.3 4.870 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5382 3446.6 >5 scans 62% 271 m/z 0.16% 0.769% 2704 1.0 749 630355 3.09% 30993641 30993641 124463651 0-0 20: 271 331 505 73 109 361 223 475 241 169 506 127 103 217 272 289 201 332 243 199 0.996 34.59 -6.0 99 98 98 99 596 4.5 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5856 3452.2 4.0 scans 7.7% 596 m/z 0.48% 0.0536% 2709 0.8 172 216893 2160731 2057621 1-1 10: 596 597 598 316 599 356 600 370 454 354 0.970 34.47 13.5 94 95 73 96 596 111.9 42.160 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN EXBLK5S-N1006 Contamination 6.3595 1047.6 1.8 scans 80% 207 m/z (173) 0.51% 0.0324% 26 1.1 196 206155 1315235 1294525 1-0 15: 207 295 208 209 296 191 297 279 193 189 177 210 247 298 192 0.992 6.63 -15.7 96 97 89 97 295 60.4 9.532 -0.266 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1192 Contamination 7.9483 1141.7 2.4 scans 98% 147 m/z 0.063% 0.510% 177 0.8 689 1653985 20654228 20649125 1-0 20: 147 73 133 220 235 148 146 59 72 86 74 160 89 149 75 100 103 131 134 221 0.998 7.99 -2.5 99 98 97 99 235 141.9 4.243 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1026 Cadaverine NC 8.1177 1151.8 2.3 scans 52% 174 m/z 4.1% 0.00338% 193 1.0 59 25592 137106 137106 1-0 8: 174 175 216 142 86 176 130 160 0.973 7.74 22.6 93 94 85 94 216 15.4 6.860 0.382 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1188 Contamination 8.2976 1162.5 2.2 scans 56% 281 m/z 4.2% 0.00611% 210 1.1 80 25048 247735 247735 1-0 9: 281 369 282 283 370 207 265 249 371 0.889 8.41 -6.9 93 92 69 96 369 23.5 8.676 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1186 Phosphate 8.4797 1173.2 2.4 scans 95% 241 m/z 0.19% 0.0926% 228 1.2 284 540514 3749823 3649162 1-1 20: 241 242 133 211 163 243 256 73 135 195 98 59 89 119 137 121 257 134 181 212 0.999 8.56 -4.8 100 100 99 100 299 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1180 Benzoic acid 9.6518 1242.2 3.2 scans 37% 179 m/z (73) 7.6% 0.00368% 339 0.7 49 13779 0.00425% 149355 138955 172084 2-2 6: 179 105 135 77 180 51 0.904 9.76 -6.3 91 94 85 94 194 5.9 1.441 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN VEN77_S6-N1002 Glycerol 10.0254 1264.0 5.0 scans 97% 299 m/z 0.013% 3.08% 374 0.3 1197 7838783 124779191 119630851 1-1 20: 299 73 300 314 147 133 283 205 207 315 211 193 191 117 103 135 74 225 75 131 1.000 10.09 -4.0 98 96 91 99 299 671.7 31.671 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6514 1300.7 3.0 scans 47% 199 m/z (117 175) 1.0% 0.0451% 434 1.0 180 98587 1829591 1770036 1-1 17: 199 75 55 145 132 200 67 97 81 118 82 76 201 155 54 95 96 0.923 10.73 -4.9 91 95 90 97 209 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9871 1320.9 2.6 scans 50% 184 m/z 5.1% 0.00623% 466 0.9 74 20487 252446 223629 1-2 9: 184 134 285 174 86 77 227 100 172 0.972 11.06 -4.6 91 90 81 93 285 24.0 10.639 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3606 1343.4 3.3 scans 39% 57 m/z (84) 0.42% 0.0787% 501 0.9 220 246035 0.0798% 3189411 2865279 3231129 3-4 18: 57 97 115 145 127 69 129 59 111 128 109 58 72 98 87 201 114 113 0.970 11.45 -5.1 96 99 96 99 145 66.1 8.985 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3785 1344.5 3.2 scans 84% TIC 0.070% 0.350% 503 0.8 491 1505394 0.368% 14182419 13539313 14900443 3-1 0.939 10.96 25.5 97 98 96 99 161 127.3 6.713 0.422 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN TAB_REP6-N1026 Malic acid 13.4460 1472.1 2.7 scans 92% TIC 0.39% 0.0803% 699 1.1 255 269198 3255048 3082539 2-1 0.997 13.53 -5.5 98 97 95 97 335 30.2 1.403 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1146 Malic acid 13.4460 1472.1 2.6 scans 88% 73 m/z 0.40% 0.0753% 699 1.1 251 262449 3050254 3014460 2-0 20: 73 147 233 245 133 189 190 148 74 175 335 75 191 55 101 149 234 217 265 235 0.996 13.62 -10.7 98 97 95 97 350 0.0 0.000 -0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6550 1550.8 2.7 scans 88% 174 m/z 0.32% 0.0614% 814 1.2 221 324470 0.0680% 2487867 2487867 2753343 0-0 20: 174 73 175 86 176 250 100 59 91 130 251 162 74 177 117 87 121 65 131 172 0.992 14.16 32.5 89 90 90 97 250 42.1 3.639 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1044 Dodecanol 14.7097 1554.4 2.8 scans 91% TIC 0.43% 0.0601% 820 0.9 218 241996 0.186% 2434118 2431661 7531202 0-1 0.999 14.24 31.0 97 98 98 99 243 118.0 29.418 0.468 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1754 1654.1 3.0 scans 80% 290 m/z 0.32% 0.0727% 959 2.0 213 319566 2945165 2578169 3-4 16: 290 291 73 292 158 392 144 131 74 293 393 115 100 172 200 394 0.962 16.28 -7.0 97 95 93 99 392 30.5 2.048 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5311 1678.8 2.7 scans 92% 55 m/z 0.27% 0.161% 993 1.2 342 379313 0.176% 6520415 5701066 7126299 9-3 19: 55 69 83 73 97 56 70 57 84 111 82 127 113 98 68 67 140 96 54 0.999 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1010 Glycerol-P 17.4654 1745.9 2.9 scans 97% TIC 0.041% 1.56% 1081 0.6 1081 2549324 63423632 61895851 1-1 1.000 16.97 36.4 96 99 98 99 445 175.1 2.626 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4177 1816.1 4.1 scans 94% TIC 0.029% 2.86% 1172 0.5 1246 3568855 115938740 108860480 1-2 0.983 17.91 37.9 96 99 98 99 327 118.0 0.899 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1012 Phytol 18.5513 1826.3 3.1 scans 95% 68 m/z 0.076% 1.20% 1185 0.5 927 1385172 1.34% 48663250 45785623 54257049 2-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 110 85 1.000 18.04 38.2 94 97 99 99 278 55.4 0.357 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1016 Hexadecene 18.6123 1830.9 2.9 scans 90% TIC 0.29% 0.187% 1190 1.5 366 355227 4.14% 7575567 7041367 167629988 0-2 0.997 18.10 38.5 85 85 92 97 280 53.6 2.145 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.7 scans 51% 285 m/z (70) 1.9% 0.0235% 1193 0.9 140 55208 953403 919091 2-1 14: 285 117 132 286 145 118 287 241 300 201 116 130 61 257 0.930 18.73 -6.9 93 95 82 95 300 13.7 0.948 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8417 1848.4 2.6 scans 94% 81 m/z 0.41% 0.191% 1212 1.1 400 251966 7749736 7400574 1-3 20: 81 82 68 95 57 123 55 69 83 67 79 71 96 97 124 109 53 110 111 56 0.995 18.58 20.0 96 93 98 99 278 46.3 1.342 0.263 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1072 Fructose 18.9311 1855.2 2.7 scans 79% 73 m/z 0.68% 0.0506% 1221 0.9 207 154601 2049029 2016343 1-1 20: 73 103 307 217 147 308 277 218 309 133 104 74 189 205 364 117 89 172 302 148 0.988 19.03 -7.8 91 91 92 91 364 19.9 0.929 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BRA4_R~2-N1004 Galactose 19.2521 1879.7 2.8 scans 65% 319 m/z 1.3% 0.0296% 1251 1.0 155 80454 1199397 1123173 3-1 13: 319 205 160 320 321 103 206 229 161 157 189 207 291 0.991 19.36 -8.4 95 94 92 96 364 10.0 0.412 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1068 Galactopyranose 19.3268 1885.4 2.8 scans 58% 204 m/z 1.6% 0.0222% 1258 1.5 130 62560 0.0478% 900112 865422 1935438 1-2 11: 204 191 205 192 206 193 189 291 231 305 203 0.887 19.32 0.9 82 80 81 87 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9055 1931.1 2.9 scans 88% TIC 0.23% 0.135% 1313 1.2 303 440918 0.160% 5483253 4641178 6478454 1-2 0.999 19.91 -0.6 96 93 95 99 361 13.6 0.202 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7841 2001.9 3.0 scans 94% TIC 0.16% 0.619% 1397 0.8 682 634129 0.712% 25088762 23484984 28829119 2-3 0.999 20.27 41.7 82 82 94 98 322 46.7 0.469 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1038 C16:0 21.1513 2032.7 3.5 scans 96% 313 m/z 0.026% 2.57% 1432 0.4 1285 3929085 104403429 96526661 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 57 118 133 69 201 74 315 269 116 1.000 20.62 44.4 94 99 99 100 328 148.0 1.328 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9520 2100.0 3.1 scans 53% 327 m/z 2.0% 0.0329% 1508 1.5 151 51456 0.0391% 1335377 1222188 1583172 3-2 14: 327 117 132 145 129 328 342 118 329 201 343 299 283 313 0.900 22.33 -33.0 91 94 88 96 342 19.4 1.646 -0.378 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1709 2119.1 3.2 scans 11% 396 m/z 8.5% 0.00321% 1529 1.3 47 12384 0.00417% 130228 130228 168845 0-0 7: 396 219 381 397 398 220 307 0.783 22.19 -1.4 83 85 49 86 396 26.7 32.259 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3876 2138.0 3.1 scans 17% 204 m/z 4.4% 0.00375% 1549 1.2 54 23685 152088 131605 3-4 4: 204 249 205 206 0.782 22.71 -28.5 84 89 60 87 518 0.0 0.000 -0.326 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1040 Phytol 22.6075 2157.3 3.2 scans 90% TIC 0.072% 0.331% 1570 1.2 469 1453723 0.386% 13415995 11742340 15629269 6-1 0.994 22.08 45.8 80 81 90 96 181 9.5 0.041 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1810 2207.7 5.8 scans 90% 79 m/z 0.035% 5.86% 1625 0.2 1548 2953730 6.61% 237410444 228101738 267641116 0-5 20: 79 75 73 95 67 93 108 80 81 91 107 94 129 55 121 335 77 149 135 117 0.992 23.12 5.9 96 95 98 95 350 110.4 0.509 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1036 C18:0 23.4040 2228.1 2.7 scans 92% 341 m/z 0.078% 0.701% 1646 0.8 765 1337411 28422059 27185872 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 1.000 22.89 46.3 93 98 99 99 356 100.2 1.714 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7102 2256.1 2.8 scans 28% 163 m/z (95) 0.49% 0.0416% 1675 1.1 173 211356 1685101 1444543 2-8 7: 163 331 164 165 332 88 90 0.973 23.72 -0.8 91 92 83 94 331 41.6 5.805 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1004 Prostaglandin 23.7544 2260.1 3.0 scans 60% 73 m/z (95) 0.58% 0.147% 1679 0.7 300 180895 0.184% 5990519 4903430 7450222 5-0 20: 73 169 231 143 211 156 195 147 81 182 170 221 181 183 317 360 235 209 157 196 0.992 23.76 -0.3 94 95 90 95 360 26.7 0.793 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1395 2295.3 3.3 scans 28% 204 m/z 0.71% 0.0285% 1716 0.8 144 146516 0.0366% 1154095 1146963 1481946 0-2 15: 204 205 217 337 147 206 338 219 218 361 191 339 243 319 362 0.654 24.18 -3.8 89 92 66 91 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1018 myo-Inositol 25.2075 2396.6 4.6 scans 52% TIC 1.3% 0.0447% 1817 1.4 182 80245 0.226% 1812251 1812251 9150816 0-0 0.932 25.21 -0.2 96 96 89 97 470 12.3 0.455 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6231 2437.6 3.6 scans 47% 91 m/z 0.73% 0.0335% 1857 1.5 143 143612 0.0446% 1358691 1223871 1805869 5-2 17: 91 117 194 207 92 115 65 208 312 193 104 51 118 195 128 63 178 0.985 25.61 1.3 97 97 95 96 312 17.8 1.553 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5554 2531.2 3.0 scans 51% 512 m/z (383) 0.47% 0.119% 1945 0.9 296 221242 4837852 4773267 1-0 16: 512 455 247 513 456 514 483 207 248 263 457 349 484 497 423 409 0.975 26.57 -1.9 96 97 92 98 512 99.4 11.299 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9299 2569.9 2.9 scans 88% 371 m/z 0.036% 1.02% 1981 0.7 905 2912565 41400190 39501073 2-1 20: 371 372 73 147 129 57 203 205 239 459 373 71 55 103 116 145 75 101 117 133 1.000 26.39 55.3 90 97 97 100 459 114.9 1.618 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN LQC1-N1010 Sucrose 27.4182 2621.0 3.0 scans 22% 361 m/z 0.84% 0.0511% 2027 1.0 185 124808 2070312 1669326 0-24 10: 361 362 437 363 451 438 452 439 364 453 0.871 27.58 -17.2 96 96 85 97 437 35.6 3.691 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9190 2674.5 2.8 scans 90% 73 m/z 0.11% 0.795% 2075 1.0 826 894994 2.30% 32207275 32207275 93127771 0-0 20: 73 161 109 205 145 57 160 287 214 147 286 201 75 127 186 83 517 312 172 301 1.000 27.91 1.1 98 96 99 100 662 37.0 0.200 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0421 2687.6 7.3 scans 67% TIC 0.44% 0.127% 2087 1.6 388 236105 1.92% 5167785 5167785 77741444 0-0 0.986 28.03 0.9 92 88 89 98 574 35.5 0.834 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.4030 2727.6 3.0 scans 76% 399 m/z 0.19% 0.229% 2121 1.0 426 553907 0.230% 9291090 9074676 9312777 2-1 13: 399 400 147 129 103 203 205 487 401 116 101 145 133 0.955 28.19 23.7 97 96 95 98 487 52.8 1.536 0.210 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.7050 2761.5 3.8 scans 93% TIC 0.064% 2.23% 2150 0.7 1139 1641389 2.64% 90537561 88495568 106894485 1-0 0.998 28.67 4.2 92 90 91 94 457 194.4 2.913 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8298 2888.1 6.0 scans 36% 71 m/z (368) 1.2% 0.0517% 2257 1.0 158 82443 0.0680% 2095545 1745686 2753343 0-9 9: 71 57 85 99 127 56 141 70 182 0.957 29.83 0.4 81 80 94 91 408 8.0 0.258 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1042 C20:0-2-glycerol 30.4043 2955.6 3.3 scans 87% TIC 0.091% 1.32% 2311 1.0 945 1149892 1.46% 53500014 48880165 59115889 1-0 0.964 30.38 2.7 93 89 79 100 485 155.7 2.717 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4296 2958.6 3.7 scans 83% 193 m/z (57) 0.44% 0.243% 2314 0.7 373 234353 9873382 9548440 1-0 11: 193 105 119 163 120 194 176 247 106 307 530 0.967 30.36 8.5 86 87 88 92 529 13.2 0.125 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4685 2963.2 3.4 scans 40% 57 m/z 0.61% 0.0620% 2317 1.4 204 172855 0.187% 2512165 2281669 7571693 0-1 14: 57 71 56 393 85 392 394 99 70 113 127 141 365 58 0.977 30.46 0.6 95 95 92 94 393 51.8 6.468 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2219 3052.7 3.0 scans 87% 57 m/z 0.070% 0.625% 2389 0.7 688 1490446 25345806 25317019 0-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 421 155 394 392 0.996 31.21 1.2 97 95 99 100 393 108.0 2.463 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1048 Hentriacontane 31.5259 3088.8 3.0 scans 81% 57 m/z (189) 0.075% 0.591% 2418 0.7 659 1401977 23942187 23695479 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 72 58 0.995 31.53 -0.7 97 98 100 99 436 39.9 0.367 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6785 3106.9 4.2 scans 19% 204 m/z 1.2% 0.0138% 2432 1.6 125 84462 0.102% 562753 538355 4130014 0-1 13: 204 597 337 205 217 73 598 191 338 206 103 599 147 0.885 31.68 0.3 90 91 82 90 597 16.7 1.780 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8237 3124.2 3.0 scans 85% 502 m/z 0.055% 0.585% 2446 0.7 666 1885961 23689198 22656570 1-1 16: 502 237 503 73 236 504 238 57 277 221 223 208 74 239 505 193 0.998 31.79 3.8 100 99 99 100 502 329.5 24.472 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9489 3139.1 3.2 scans 70% 329 m/z 0.43% 0.312% 2458 0.8 469 242902 12657119 11269807 1-4 16: 329 129 368 353 458 95 330 121 107 328 105 369 145 119 93 91 0.991 31.87 9.7 97 95 96 98 458 70.4 2.252 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1173 3159.1 3.5 scans 71% TIC 0.093% 0.442% 2474 0.9 602 1125324 0.850% 17921258 17921258 34416785 0-0 0.989 32.11 0.9 96 93 98 99 421 135.7 5.083 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1004 Campesterol 32.7844 3238.3 3.9 scans 46% 343 m/z 0.40% 0.322% 2537 0.9 443 258717 13051964 11941812 1-1 16: 343 129 382 472 367 383 344 121 107 342 119 145 105 473 159 457 0.980 32.21 68.2 82 93 80 95 472 71.7 2.628 0.574 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1046 Stigmasterol 32.9938 3263.2 3.5 scans 85% 83 m/z 0.12% 1.14% 2557 0.6 878 834549 46341003 44754220 1-1 20: 83 129 55 255 394 69 81 73 75 159 133 145 119 105 107 93 351 355 95 91 0.996 32.98 1.4 96 94 97 97 665 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1032 3276.2 3.0 scans 77% TIC 0.073% 0.538% 2568 0.7 678 1426082 1.67% 21809035 20695051 67618860 0-5 0.988 33.10 0.8 85 80 96 94 515 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN WTF2-N1034 b-Sitosterol 33.4778 3320.6 3.3 scans 70% 129 m/z 0.31% 0.437% 2603 0.8 565 337179 0.947% 17702986 17100098 38344347 1-2 19: 129 357 396 381 486 358 107 119 75 121 95 356 145 397 81 105 57 55 159 0.987 32.88 71.3 85 97 98 99 486 79.8 1.994 0.601 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5882 3333.8 9.9 scans 85% 505 m/z 0.10% 1.46% 2614 0.9 911 965701 3.38% 59225495 56940833 136857333 1-0 20: 505 271 361 491 73 169 506 109 103 492 223 362 127 289 272 507 201 129 147 243 0.999 33.63 -4.3 97 94 91 100 505 235.8 6.704 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7040 3347.5 >4 scans 68% TIC 0.30% 0.604% 2625 2.8 569 343249 2.73% 24471601 22099518 110538615 0-3 0.949 33.69 1.3 95 94 89 97 505 125.8 4.877 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8892 3369.5 3.4 scans 10% 441 m/z 1.3% 0.0174% 2642 0.9 105 78873 707340 693138 0-1 7: 441 442 308 646 443 647 510 0.921 33.80 11.1 92 92 77 95 646 19.2 3.317 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4700 3438.5 4.7 scans 86% 271 m/z 0.094% 2.13% 2698 0.9 1003 1114594 3.24% 86321027 78671659 131188686 2-0 20: 271 505 331 73 109 361 241 169 223 506 475 127 103 217 272 201 332 289 199 243 0.999 34.52 -5.7 100 99 99 100 505 230.5 5.279 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5836 3452.0 3.9 scans 17% 596 m/z (271) 0.51% 0.0678% 2708 0.9 195 203181 2746799 2677891 1-1 9: 596 597 598 316 599 356 595 370 581 0.849 34.47 13.3 94 96 85 98 596 108.1 30.878 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\B WA_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.6015 3454.1 >4 scans 36% 271 m/z 1.0% 0.113% 2710 1.3 294 100416 2.42% 4602283 4363927 97986611 0-1 20: 271 505 109 475 506 223 169 241 361 103 127 289 199 201 272 476 507 491 217 243 0.972 34.59 1.5 97 96 93 98 596 9.2 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN EXBLK5S-N1006 Contamination 6.3730 1048.4 2.0 scans 60% 207 m/z (89) 1.1% 0.0196% 27 1.4 134 84950 520847 500836 1-1 12: 207 295 208 209 296 191 297 279 189 193 192 177 0.981 6.63 -14.9 94 95 84 96 295 41.6 9.578 -0.252 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.8612 1077.3 >12 scans 14% 117 m/z (131) 11% 0.00863% 74 0.2 39 8865 0.0160% 228405 228405 423077 0-0 4: 117 147 191 190 0.827 6.82 2.4 84 90 64 88 295 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1192 Contamination 7.9881 1144.1 2.3 scans 95% 73 m/z 0.083% 0.536% 181 0.8 646 1197790 14199367 13013473 4-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.996 7.99 -0.1 99 98 97 99 235 131.5 4.143 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1026 Cadaverine NC 8.1291 1152.5 2.3 scans 85% 174 m/z 0.84% 0.0276% 194 1.1 150 118774 730996 710856 1-1 19: 174 73 175 216 86 142 100 176 160 59 130 217 131 74 143 101 218 116 231 0.992 7.74 23.3 96 95 92 98 216 36.4 5.899 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1188 Contamination 8.3112 1163.3 2.4 scans 83% 281 m/z 1.6% 0.0273% 211 1.0 143 61262 722460 687340 1-1 20: 281 147 369 282 283 370 148 207 265 371 249 191 149 284 59 251 266 267 193 208 0.951 8.41 -6.1 97 96 77 99 369 40.9 8.157 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1186 Phosphate 8.5100 1175.0 2.3 scans 94% 241 m/z 0.25% 0.0918% 230 1.2 273 391936 2429636 2352526 1-1 20: 241 242 133 211 73 163 243 256 195 135 98 59 89 137 119 212 121 147 165 134 0.999 8.56 -3.0 100 99 98 100 299 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1180 Benzoic acid 9.6811 1243.9 2.5 scans 72% 179 m/z 5.5% 0.00559% 342 1.0 63 17999 0.00730% 147981 147981 193029 0-0 7: 179 105 135 77 180 194 51 0.988 9.76 -4.6 96 96 88 96 194 10.6 2.767 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN VEN77_S6-N1002 Glycerol 10.0410 1264.9 4.8 scans 86% 299 m/z 0.016% 3.04% 376 0.4 1107 5889029 80488063 78978730 1-0 20: 299 300 314 301 207 283 315 211 193 316 135 302 225 115 284 208 189 137 181 195 0.923 10.09 -3.1 100 99 98 99 299 654.0 35.102 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LACTIC~1-N1034 Glycerol 10.0515 1265.6 2.3 scans 15% 205 m/z (299) 0.14% 0.335% 377 0.4 455 669729 8877301 7715858 2-1 17: 205 147 117 103 218 206 148 204 149 129 219 101 203 217 175 118 293 0.642 10.11 -3.4 85 95 58 94 293 35.8 0.616 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6744 1302.1 2.6 scans 75% 199 m/z 1.0% 0.0607% 436 1.0 207 91445 1607182 1443785 3-1 17: 199 75 117 145 129 132 200 131 67 81 79 118 76 61 201 155 72 0.876 10.73 -3.5 97 96 94 99 209 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1168 Glyceric acid 10.9553 1319.0 2.3 scans 64% 292 m/z 8.1% 0.00602% 463 0.9 70 12323 159265 159265 0-0 8: 292 189 103 133 205 102 293 190 0.979 11.05 -5.9 84 84 65 85 292 19.7 7.965 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0100 1322.3 2.4 scans 76% 184 m/z 4.0% 0.0132% 468 1.0 101 24840 0.0136% 349508 349508 359616 0-0 14: 184 134 285 174 77 86 100 59 172 185 227 286 186 135 1.000 11.06 -3.2 94 94 84 95 285 29.0 8.287 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3867 1345.0 2.8 scans 14% 57 m/z (84) 0.36% 0.121% 504 1.1 254 277762 0.127% 3207348 2943602 3358174 3-2 17: 57 97 115 145 127 69 129 111 109 128 72 71 98 201 113 114 95 0.873 11.45 -3.5 93 97 88 98 145 75.8 8.903 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4225 1347.1 3.8 scans 97% 84 m/z (57) 0.019% 2.23% 507 0.4 1045 5210836 59216353 58230436 1-1 20: 84 133 162 161 119 92 85 118 82 65 51 130 134 78 117 63 55 91 163 120 0.999 10.96 28.1 95 97 97 99 161 273.4 6.845 0.467 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1146 Malic acid 13.4575 1472.8 2.6 scans 93% 73 m/z 0.36% 0.109% 701 1.0 278 275240 2892945 2883604 2-0 20: 73 147 233 245 133 189 148 74 190 75 191 175 149 55 101 335 234 59 217 265 0.999 13.62 -10.0 98 97 96 97 350 0.0 0.000 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN TAB_REP6-N1026 Malic acid 13.4575 1472.8 2.7 scans 93% TIC 0.36% 0.119% 701 0.9 278 272525 3152180 3023263 1-0 0.994 13.53 -4.8 98 97 97 97 335 31.6 1.298 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9520 1504.2 2.9 scans 25% 156 m/z 8.1% 0.00247% 748 0.9 40 12305 65416 65416 0-0 2: 156 157 0.968 14.11 -10.5 87 89 78 89 273 0.0 0.000 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2676 1525.1 2.6 scans 66% 263 m/z 1.1% 0.0231% 778 1.1 125 89852 613360 613360 1-0 11: 263 264 278 447 265 279 175 448 335 207 128 0.987 14.33 -3.9 85 80 82 95 278 31.7 6.381 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6643 1551.4 2.7 scans 93% TIC 0.35% 0.0821% 815 1.2 237 285047 0.110% 2172423 2148549 2908655 2-0 0.997 14.16 33.1 92 93 91 98 250 44.2 3.475 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1044 Dodecanol 14.7180 1555.0 >4 scans 81% TIC 1.8% 0.0248% 820 0.8 123 55183 0.137% 658223 612558 3622597 0-2 0.997 14.24 31.6 94 96 91 97 243 63.3 26.355 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1826 1654.6 2.8 scans 42% 290 m/z 1.4% 0.0158% 960 1.7 92 68629 419436 378692 1-2 6: 290 291 292 392 144 293 0.827 16.28 -6.5 91 90 57 95 392 15.9 2.975 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5341 1679.0 2.9 scans 56% 55 m/z 3.5% 0.0129% 993 1.5 89 28281 0.0209% 341497 274427 552644 0-4 17: 55 83 56 97 69 70 111 98 82 84 127 68 140 112 54 67 125 0.906 16.63 -6.4 84 85 77 84 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1010 Glycerol-P 17.4684 1746.1 2.5 scans 97% 357 m/z 0.052% 1.59% 1082 0.6 1066 1891777 42075392 40349407 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 133 301 129 387 256 218 131 1.000 16.97 36.6 96 99 99 99 445 167.4 2.468 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5452 1751.7 2.4 scans 50% 217 m/z 2.8% 0.0129% 1089 1.1 101 34598 0.136% 341926 325714 3596155 1-2 11: 217 218 450 219 191 175 232 149 169 148 305 1.000 17.63 -6.3 81 80 65 82 450 14.3 2.007 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4186 1816.1 4.1 scans 96% TIC 0.031% 3.90% 1172 0.5 1324 3161181 103301080 99762053 1-2 0.994 17.91 37.9 96 99 98 100 327 124.2 0.882 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1012 Phytol 18.5511 1826.3 2.9 scans 97% 68 m/z 0.091% 1.36% 1185 0.6 911 1097005 1.49% 36155933 35402405 39399052 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.2 95 98 99 99 278 52.3 0.330 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1016 Hexadecene 18.6153 1831.1 3.0 scans 90% TIC 0.44% 0.185% 1191 1.5 325 222295 5.18% 4912503 4744364 136971202 0-1 1.000 18.10 38.7 83 83 92 97 280 45.3 1.946 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6437 1833.3 2.7 scans 44% 285 m/z 2.4% 0.0291% 1193 0.9 133 41419 0.826% 770329 708954 21841354 12-1 16: 285 117 132 129 286 145 118 287 131 116 300 201 130 61 76 241 0.997 18.73 -6.4 94 94 81 94 300 13.7 1.053 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1076 Pregnane?? 18.7668 1842.7 2.7 scans 81% 345 m/z 1.1% 0.0460% 1205 1.1 185 89031 1216845 1214304 0-1 20: 345 73 346 147 255 347 334 256 133 74 435 148 372 149 257 419 243 192 206 239 0.986 18.86 -7.0 92 92 86 92 537 10.4 0.316 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1002 Phytol 18.8min 18.8468 1848.8 2.8 scans 94% TIC 0.54% 0.219% 1213 1.1 383 183140 0.333% 5813156 5691634 8805292 0-3 0.996 18.84 0.5 96 95 99 95 278 42.3 1.219 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9415 1856.0 2.6 scans 83% 73 m/z 0.74% 0.0663% 1222 0.8 213 133565 1755609 1649439 9-0 20: 73 103 307 217 147 308 218 133 277 205 74 104 189 309 364 117 89 148 219 172 0.998 18.40 41.0 92 96 96 98 364 20.1 0.898 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1018 Fructose 19.0593 1865.0 2.8 scans 58% 73 m/z (81) 0.92% 0.0604% 1233 1.1 191 107886 0.138% 1598824 1456775 3649040 1-6 20: 73 103 307 217 147 308 277 218 309 89 74 104 148 205 364 262 133 219 117 191 0.925 18.52 40.7 88 93 93 98 364 18.5 0.934 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0920 1867.5 2.8 scans 95% 81 m/z 0.25% 0.462% 1236 0.9 562 394730 12221513 12128841 0-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 53 56 111 0.999 18.58 39.1 93 96 98 99 278 72.7 1.670 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1068 Galactopyranose 19.2119 1876.7 2.9 scans 54% TIC 2.4% 0.00712% 1247 1.0 99 40798 0.397% 188448 188448 10497600 0-0 0.994 19.32 -7.8 85 84 86 85 435 0.0 0.000 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BRA4_R~2-N1004 Galactose 19.2614 1880.4 2.6 scans 83% 73 m/z 0.57% 0.0886% 1252 1.0 256 174500 0.162% 2344627 2213313 4283655 0-2 20: 73 319 205 147 160 320 217 103 321 206 117 74 207 189 229 148 133 218 157 161 0.995 19.36 -7.7 95 94 93 96 364 15.7 0.375 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9095 1931.5 2.9 scans 80% TIC 0.64% 0.0534% 1314 0.7 207 153989 0.111% 1414229 1414229 2935097 0-0 0.998 19.91 -0.2 97 96 96 97 361 9.4 0.208 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2736 1960.7 2.5 scans 62% 204 m/z 1.1% 0.0297% 1348 1.1 146 85332 787074 785283 1-0 15: 204 191 205 147 217 192 206 218 193 189 219 149 148 291 305 0.996 20.41 -11.3 89 89 88 89 217 33.5 5.270 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7807 2001.6 2.8 scans 95% TIC 0.30% 0.447% 1397 0.9 536 322775 0.477% 11827030 11417163 12612985 1-3 1.000 20.27 41.4 84 84 95 98 322 34.7 0.419 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1038 C16:0 21.1511 2032.7 2.9 scans 98% 313 m/z 0.028% 3.16% 1432 0.4 1376 3490685 83584554 81980394 0-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 201 69 74 315 269 116 1.000 20.62 44.4 94 99 99 100 328 155.5 1.278 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6583 2075.3 2.9 scans 89% TIC 0.34% 0.280% 1480 0.6 385 292911 0.299% 7429333 6645325 7906253 1-4 0.992 21.75 -7.6 98 97 96 97 507 23.2 0.362 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9550 2100.3 3.0 scans 75% TIC 1.7% 0.0508% 1508 1.0 181 56573 0.105% 1345237 1285608 2776443 0-1 0.973 22.33 -32.7 94 96 94 97 342 22.4 1.519 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1728 2119.3 2.7 scans 12% 396 m/z 13% 0.00220% 1529 1.3 39 7376 0.00317% 58317 58317 83822 0-0 5: 396 219 397 381 398 0.813 22.19 -1.2 82 85 48 85 396 23.1 35.857 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1040 Phytol 22.6126 2157.7 3.0 scans 89% TIC 0.13% 0.217% 1571 1.2 378 748301 0.311% 5759394 5663878 8223561 0-2 0.992 22.08 46.2 82 84 90 96 181 0.0 0.000 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1703 2206.7 5.0 scans 95% 79 m/z 0.040% 6.99% 1624 0.3 1602 2487614 7.50% 184985421 179369527 198317377 0-8 20: 79 75 73 95 93 67 108 80 81 91 107 129 55 94 117 121 135 335 149 77 0.990 23.12 4.9 99 98 99 98 350 109.0 0.463 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1036 C18:0 23.4049 2228.1 2.6 scans 94% 341 m/z 0.10% 0.790% 1646 0.8 755 963592 20902054 20400673 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 69 131 118 74 201 343 116 83 1.000 22.89 46.3 94 99 99 100 356 94.5 1.566 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1018 myo-Inositol 25.2147 2397.3 3.3 scans 78% TIC 0.61% 0.146% 1818 1.2 299 163416 0.304% 3873375 3851190 8038464 0-1 0.978 25.21 0.5 99 97 96 100 470 20.1 0.453 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6166 2437.0 3.1 scans 65% 91 m/z 0.46% 0.0666% 1856 1.3 196 212906 1762293 1680911 1-3 18: 91 117 194 207 92 115 65 208 193 312 104 51 118 116 78 128 178 63 0.965 25.61 0.7 98 98 97 98 312 21.8 1.242 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5584 2531.5 2.8 scans 30% 512 m/z 1.4% 0.0435% 1946 0.9 168 69961 1152393 1152393 0-0 17: 512 455 247 513 456 514 349 248 483 263 457 497 484 423 235 409 234 0.937 26.57 -1.6 93 93 78 94 512 59.8 12.645 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9308 2570.0 2.8 scans 90% 371 m/z 0.049% 1.06% 1981 0.8 860 2009818 28249150 27628808 1-1 20: 371 372 73 147 57 129 205 203 239 55 459 373 71 103 116 75 145 101 117 85 1.000 26.39 55.4 90 98 98 100 459 106.6 1.539 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1010 Sucrose 27.4254 2621.8 2.8 scans 72% 361 m/z (663) 0.19% 0.331% 2028 1.0 467 508385 8756602 8158502 1-3 11: 361 362 437 363 271 451 169 438 243 439 364 0.991 27.58 -16.4 96 96 96 99 437 78.9 2.862 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN LQC1-N1008 Sucrose 27.4254 2621.8 2.8 scans 69% 361 m/z 0.19% 0.300% 2028 1.0 457 507932 7944896 7402237 1-3 11: 361 362 437 363 271 451 169 438 243 439 364 0.952 27.59 -17.7 99 98 94 99 437 78.9 2.990 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9178 2674.4 2.7 scans 91% TIC 0.16% 0.719% 2075 1.0 739 604853 1.92% 19015843 19015843 50769248 0-0 0.998 27.91 1.0 99 98 99 100 662 31.7 0.184 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0420 2687.6 2.9 scans 69% 161 m/z 0.62% 0.168% 2087 0.9 345 160596 1.61% 4455162 4455162 42572130 0-0 18: 161 73 109 57 287 205 145 160 201 517 83 127 182 301 172 245 162 187 0.986 28.03 0.9 97 95 95 99 574 29.2 0.718 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6891 2759.7 3.1 scans 94% TIC 0.15% 1.10% 2148 0.9 844 628298 1.73% 29271980 29271980 45745208 0-0 0.999 28.67 2.4 92 90 92 95 457 134.1 2.524 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7322 2764.6 >4 scans 83% TIC 0.084% 0.690% 2152 0.9 642 1184250 1.57% 18256613 16461232 41514438 0-6 0.997 28.19 60.7 86 95 93 96 487 83.9 1.709 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1034 Nonacosane 29.5077 2851.8 >4 scans 33% TIC 2.0% 0.0117% 2226 1.0 126 48755 0.0442% 309375 229406 1168750 0-3 0.957 29.50 0.3 88 89 93 89 408 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8338 2888.5 >4 scans 56% TIC 0.87% 0.0296% 2257 1.2 196 113853 0.0868% 783673 783673 2295193 0-0 0.983 29.83 0.8 90 88 97 92 408 10.8 0.306 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1042 C20:0-2-glycerol 30.4041 2955.6 3.0 scans 91% 189 m/z 0.11% 1.41% 2311 0.7 928 839382 1.56% 37530048 35698527 41250014 1-0 20: 189 369 129 145 117 73 188 485 103 57 75 55 370 131 385 71 69 83 97 190 0.995 30.38 2.7 90 84 75 100 485 142.5 2.359 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4725 2963.7 4.5 scans 72% TIC 0.38% 0.154% 2318 1.6 303 260976 1.34% 4088474 3612091 35432705 0-2 0.995 30.46 1.1 99 98 99 99 393 63.1 4.334 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2206 3052.6 2.9 scans 86% 57 m/z 0.094% 0.626% 2389 0.7 632 1058497 16562987 15927911 2-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 155 98 421 82 0.996 31.21 1.1 99 97 99 100 393 92.0 2.118 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1048 Hentriacontane 31.5279 3089.1 3.1 scans 81% 57 m/z 0.085% 0.697% 2418 0.7 656 1168841 18437282 17316551 1-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 72 0.998 31.53 -0.4 99 98 99 99 436 36.5 0.310 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6878 3108.1 3.8 scans 16% 204 m/z 1.7% 0.0102% 2433 1.2 111 55843 0.0902% 270592 254087 2385097 0-1 10: 204 597 205 103 337 598 73 361 191 217 0.793 31.68 1.5 85 88 79 87 597 14.6 1.718 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8288 3124.8 3.1 scans 88% 502 m/z 0.054% 0.976% 2447 0.6 760 1849197 25809904 25099605 1-1 18: 502 237 503 73 236 238 504 57 277 221 223 208 239 71 55 74 505 193 1.000 31.79 4.4 100 99 99 100 502 366.5 23.316 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9477 3138.9 2.9 scans 71% 329 m/z 0.56% 0.308% 2458 0.9 445 177941 0.332% 8166050 7605561 8778849 1-1 16: 329 129 368 353 458 95 107 119 330 121 81 145 328 105 369 91 0.995 31.87 9.5 96 95 95 97 458 64.3 2.085 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1192 3159.3 2.9 scans 69% 57 m/z 0.11% 0.501% 2474 0.8 574 895479 0.581% 13250711 13024426 15362986 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 422 113 420 127 111 84 141 58 155 0.990 32.11 1.1 97 95 98 99 421 127.6 4.941 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1004 Campesterol 32.7863 3238.5 3.7 scans 51% 129 m/z 0.35% 0.526% 2538 0.8 519 278187 0.540% 13921324 13210820 14278851 2-1 19: 129 343 382 472 367 95 75 107 121 344 119 145 383 105 342 81 159 93 91 0.945 32.21 68.4 83 95 83 96 472 78.7 2.302 0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1046 Stigmasterol 32.9894 3262.6 3.1 scans 87% 83 m/z 0.14% 1.27% 2557 0.7 878 684036 33825907 32682797 1-1 19: 83 129 55 255 69 394 81 484 75 133 105 159 95 145 119 107 93 97 351 0.995 32.98 0.8 93 90 97 97 665 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1051 3276.4 3.2 scans 79% TIC 0.076% 0.795% 2568 0.8 711 1306195 2.00% 21032017 19539094 52884634 2-1 0.987 33.10 1.0 89 87 97 93 515 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN WTF2-N1034 b-Sitosterol 33.4744 3320.2 3.4 scans 62% 129 m/z 0.40% 0.438% 2603 0.8 528 248324 0.851% 11589659 11518594 22502412 2-2 19: 129 357 396 486 381 95 75 121 119 107 358 145 105 57 81 397 356 159 487 0.988 32.88 70.9 85 97 98 99 486 70.8 1.796 0.597 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5849 3333.4 >4 scans 67% 271 m/z 0.34% 0.597% 2613 1.2 562 293124 2.42% 15806639 15430735 63990407 3-0 18: 271 505 73 361 491 169 109 506 103 223 492 201 272 127 289 362 507 243 0.993 33.57 1.6 95 93 95 98 505 128.1 5.195 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6407 3340.0 4.4 scans 53% 505 m/z 0.31% 0.373% 2619 1.2 539 315950 1.43% 9876403 9876403 37812513 0-0 20: 505 271 73 361 491 169 109 506 103 492 223 289 362 201 272 127 507 243 493 147 0.985 33.63 1.9 98 97 95 100 505 141.5 6.898 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7080 3348.0 3.6 scans 52% 505 m/z (204) 0.50% 0.352% 2625 1.2 467 199395 2.31% 9324404 9324404 61081752 0-0 18: 505 271 491 361 109 506 169 223 492 272 289 507 127 83 201 362 493 273 0.991 33.69 1.8 95 96 96 99 505 113.8 5.933 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8932 3370.0 2.9 scans 3.7% 441 m/z 3.3% 0.00721% 2643 0.9 65 29692 190834 177275 1-1 5: 441 442 308 646 647 0.900 33.80 11.6 86 86 58 93 646 12.9 3.978 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4688 3438.3 4.7 scans 87% 271 m/z 0.11% 2.67% 2697 1.0 1012 899012 5.57% 70722844 67205787 147283705 1-0 20: 271 331 505 73 109 361 241 223 169 506 127 475 103 217 272 201 332 289 199 243 0.999 34.52 -5.9 100 99 99 100 505 226.3 5.000 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5824 3451.8 4.0 scans 9.1% 596 m/z 0.58% 0.0627% 2708 1.0 169 172373 1660323 1593819 4-1 9: 596 597 598 316 599 356 370 523 581 0.971 34.47 13.1 95 95 73 96 596 111.9 43.887 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.6066 3454.7 4.2 scans 69% 271 m/z (596) 0.30% 0.705% 2710 1.1 593 325023 6.15% 18663971 18516187 162620249 0-1 19: 271 505 109 331 73 361 506 223 241 169 103 475 127 272 201 199 289 332 243 0.991 34.59 2.1 98 99 99 100 596 9.3 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN EXBLK5S-N1006 Contamination 6.3752 1048.5 2.2 scans 49% 207 m/z 1.1% 0.0165% 28 1.2 120 89496 470614 467803 0-1 14: 207 295 208 209 296 191 297 279 189 193 177 247 210 192 0.754 6.63 -14.8 94 94 62 95 295 43.5 13.243 -0.250 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8282 1134.6 11.6 scans 56% TIC 3.1% 0.00778% 166 2.2 79 32156 0.395% 220893 220893 11210134 0-0 0.940 7.79 2.0 82 79 80 90 219 5.7 0.525 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1192 Contamination 7.9924 1144.4 2.2 scans 97% 147 m/z 0.069% 0.582% 181 1.0 692 1440383 16518047 15935270 5-1 20: 147 73 133 220 235 148 59 146 72 86 74 160 75 89 100 149 103 131 134 236 0.995 7.99 0.2 99 98 97 99 235 140.4 4.116 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1026 Cadaverine NC 8.1302 1152.5 2.3 scans 91% 174 m/z 0.40% 0.0584% 194 1.2 215 246116 1658530 1577563 1-1 20: 174 73 175 216 142 86 59 176 160 100 130 217 74 131 87 143 144 218 158 231 0.998 7.74 23.3 96 94 92 99 216 50.6 5.521 0.394 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1188 Contamination 8.3123 1163.3 2.4 scans 64% 281 m/z 2.7% 0.0152% 212 1.1 107 36439 432334 409426 2-1 16: 281 147 369 282 283 370 265 207 148 371 249 149 191 193 59 284 0.885 8.41 -6.1 96 95 74 98 369 30.4 8.020 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1186 Phosphate 8.5164 1175.4 2.1 scans 97% 241 m/z 0.094% 0.215% 231 1.0 441 1059854 6121133 6121133 0-0 19: 241 242 133 73 211 163 256 243 195 135 59 98 89 147 137 119 134 181 121 1.000 8.56 -2.6 100 99 99 100 299 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1180 Benzoic acid 9.6833 1244.0 2.6 scans 62% 179 m/z 5.3% 0.00565% 342 1.3 63 18701 0.00614% 160582 146415 174254 1-2 7: 179 105 135 77 180 194 51 0.990 9.76 -4.5 94 95 87 95 194 10.2 2.613 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN VEN77_S6-N1002 Glycerol 10.0484 1265.4 5.0 scans 91% 299 m/z 0.015% 3.30% 377 0.4 1140 6300941 93699731 93192499 1-0 20: 299 73 300 314 301 133 207 283 315 211 193 191 74 316 135 302 75 59 131 225 0.971 10.09 -2.6 99 98 94 99 299 658.1 33.489 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LACTIC~1-N1034 Glycerol 10.0526 1265.6 2.5 scans 9.1% 147 m/z (299) 0.19% 0.217% 377 0.5 360 503798 6174001 6148971 2-0 20: 147 205 117 103 218 148 206 204 149 129 177 219 203 101 118 89 104 116 217 175 0.643 10.11 -3.4 87 94 57 93 293 27.2 0.568 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6755 1302.1 2.6 scans 60% 199 m/z 1.0% 0.0600% 436 1.0 205 98623 1703241 1695078 2-0 17: 199 75 117 145 132 129 200 131 74 61 81 76 118 201 155 72 146 0.673 10.73 -3.5 96 96 91 99 209 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0133 1322.5 2.6 scans 71% 184 m/z 3.4% 0.0187% 468 1.1 117 28725 531127 514233 1-1 17: 184 134 285 174 77 100 86 185 59 227 286 172 135 186 130 110 175 0.989 11.06 -3.0 91 90 73 94 285 30.5 6.792 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3878 1345.0 2.9 scans 15% 57 m/z (147) 0.34% 0.114% 504 1.0 257 291756 0.136% 3242501 3028889 3859692 3-0 18: 57 97 115 145 127 129 69 59 111 109 128 72 87 98 201 114 113 110 0.978 11.45 -3.5 93 95 93 97 145 75.2 8.567 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4320 1347.7 4.2 scans 96% TIC 0.015% 2.88% 508 0.4 1129 6311106 81738343 78764072 1-2 0.992 10.96 28.7 96 97 96 99 161 297.5 6.954 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1146 Malic acid 13.4554 1472.7 2.5 scans 85% 73 m/z 0.41% 0.0889% 700 1.2 257 240253 2525674 2443213 1-1 20: 73 147 233 245 133 148 190 189 74 191 75 335 175 149 55 234 101 171 307 59 0.987 13.62 -10.1 98 97 94 97 350 0.0 0.000 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2656 1525.0 2.6 scans 59% 263 m/z 0.62% 0.0374% 777 1.1 163 160456 1062288 1043426 0-1 17: 263 264 278 265 447 239 279 175 91 247 207 128 449 335 191 135 240 0.973 14.33 -4.0 90 85 88 98 278 40.8 6.295 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6644 1551.4 2.8 scans 92% TIC 0.33% 0.0785% 815 1.3 236 297144 0.218% 2228180 2214023 6186859 3-0 0.999 14.16 33.1 92 92 90 98 250 43.5 3.392 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1044 Dodecanol 14.7159 1554.8 >4 scans 78% TIC 1.5% 0.0276% 820 0.9 134 64615 0.162% 784171 742112 4597574 0-1 0.997 14.24 31.4 93 95 91 97 243 66.6 24.676 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1806 1654.4 2.7 scans 80% 290 m/z (156) 1.2% 0.0294% 959 1.9 131 79712 837019 837019 0-1 8: 290 291 292 392 144 115 393 100 0.929 16.28 -6.7 92 91 83 98 392 17.0 1.671 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5310 1678.7 2.9 scans 73% TIC 1.7% 0.0209% 993 1.1 140 58732 0.112% 595779 595779 3178570 0-0 0.981 16.63 -6.7 93 93 92 93 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1010 Glycerol-P 17.4685 1746.1 2.5 scans 96% 357 m/z 0.051% 1.53% 1082 0.6 1050 1949730 43528323 41284553 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 101 103 301 387 256 133 129 218 328 1.000 16.97 36.6 96 99 99 99 445 164.1 2.443 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5442 1751.6 2.6 scans 54% 217 m/z 1.7% 0.0231% 1089 1.0 130 57130 0.144% 657327 616153 4086732 1-1 9: 217 218 219 450 191 305 148 257 175 0.991 17.63 -6.4 82 81 69 83 450 16.5 1.609 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4186 1816.1 4.2 scans 94% 73 m/z 0.030% 3.75% 1172 0.5 1296 3250100 106515417 104209874 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 66 118 133 58 213 90 77 121 0.990 17.91 37.9 96 99 98 100 327 123.2 0.903 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1012 Phytol 18.5522 1826.3 2.9 scans 97% 68 m/z 0.080% 1.44% 1185 0.6 945 1237760 1.57% 40875153 39903706 44556733 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 38.2 95 98 99 99 278 54.4 0.332 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1016 Hexadecene 18.6164 1831.2 3.0 scans 89% TIC 0.38% 0.202% 1191 1.4 343 261528 5.15% 5735539 5581771 146157437 0-1 0.997 18.10 38.8 84 83 92 97 280 48.5 1.999 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6417 1833.2 2.7 scans 48% 285 m/z 1.8% 0.0323% 1193 1.0 151 55433 917153 911319 2-0 15: 285 117 132 129 286 145 118 300 287 116 201 257 61 130 146 0.997 18.73 -6.5 94 94 82 94 300 15.5 1.061 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1072 Fructose 18.9384 1855.8 2.7 scans 87% 73 m/z 0.45% 0.106% 1221 1.0 267 219628 0.109% 3027611 3002413 3093429 2-0 20: 73 103 307 217 147 308 218 277 133 104 74 309 205 189 117 364 89 148 219 191 0.996 19.03 -7.2 94 93 94 93 364 25.1 0.881 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0920 1867.5 2.8 scans 95% 81 m/z 0.22% 0.495% 1236 0.9 579 436876 14066884 13717254 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.998 18.58 39.1 93 96 98 99 278 76.0 1.722 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BRA4_R~2-N1004 Galactose 19.2604 1880.3 2.8 scans 74% 73 m/z 0.95% 0.0500% 1252 0.9 190 104792 0.127% 1420763 1334085 3604271 0-2 20: 73 319 205 160 147 320 217 103 321 206 117 74 189 148 229 161 207 89 157 133 0.999 19.36 -7.8 94 93 91 95 364 11.7 0.381 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9096 1931.5 2.7 scans 71% 204 m/z 0.65% 0.0543% 1314 1.1 191 153551 0.0596% 1542487 1438759 1691453 1-2 16: 204 217 159 205 147 206 218 103 160 191 189 291 305 243 203 116 0.917 19.91 -0.2 94 93 92 96 361 6.3 0.110 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2726 1960.7 2.6 scans 30% 204 m/z 3.1% 0.00935% 1348 1.0 83 31743 265388 265270 0-1 8: 204 191 205 206 192 189 218 193 0.962 20.41 -11.3 83 84 82 84 217 20.2 5.997 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7798 2001.5 2.9 scans 88% 75 m/z (344) 0.25% 0.473% 1396 0.9 535 385726 0.481% 13430388 13046273 13650821 2-1 20: 75 73 79 67 93 95 91 80 108 129 55 81 94 307 121 77 107 135 105 145 0.988 20.27 41.3 84 89 94 98 322 26.7 0.250 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1038 C16:0 21.1512 2032.7 3.0 scans 97% 313 m/z 0.027% 3.16% 1432 0.4 1368 3671266 89837138 86620927 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 269 116 1.000 20.62 44.4 94 99 99 100 328 154.8 1.283 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6583 2075.3 2.8 scans 58% 217 m/z 1.6% 0.0381% 1480 0.9 162 59865 1082536 1007067 4-1 19: 217 305 318 147 191 306 265 319 218 204 307 432 320 291 148 192 433 219 367 0.922 21.75 -7.6 92 92 80 92 507 10.8 0.449 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9529 2100.1 3.0 scans 74% TIC 1.4% 0.0568% 1508 0.8 192 67011 0.117% 1613895 1442900 3320470 0-2 0.978 22.33 -32.9 95 97 94 98 342 23.1 1.446 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1040 Phytol 22.6148 2157.9 3.0 scans 92% 143 m/z 0.072% 0.406% 1571 1.0 501 1372723 11535342 10697059 5-2 19: 143 73 75 144 123 81 57 55 145 124 95 69 103 97 82 83 67 96 74 0.999 22.08 46.4 81 82 90 96 181 7.4 0.022 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1714 2206.8 5.7 scans 93% 75 m/z 0.040% 7.21% 1624 0.3 1550 2469259 7.72% 204734222 193001967 219094256 0-9 20: 75 79 73 95 93 67 108 81 80 335 129 55 91 107 117 94 121 77 135 149 0.993 23.12 5.0 99 98 99 98 350 109.3 0.498 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1036 C18:0 23.4050 2228.2 2.7 scans 94% 341 m/z 0.090% 0.860% 1646 0.8 786 1109701 24421301 23945635 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 69 131 118 74 201 343 116 83 1.000 22.89 46.4 93 99 99 100 356 98.4 1.566 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7059 2255.7 2.9 scans 22% 163 m/z 1.6% 0.0179% 1675 1.2 105 61348 0.0193% 510552 477915 547736 2-0 7: 163 331 164 165 88 332 178 0.827 23.72 -1.2 92 94 78 94 331 24.4 5.438 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1004 Prostaglandin 23.7533 2260.0 >4 scans 37% TIC 2.9% 0.0110% 1679 0.9 128 33525 0.133% 312686 312686 3774551 0-0 0.915 23.76 -0.4 81 81 68 81 360 10.4 0.657 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1018 myo-Inositol 25.2127 2397.1 3.5 scans 73% TIC 0.66% 0.131% 1818 1.2 283 149842 0.365% 3734184 3664301 10358731 0-6 0.971 25.21 0.3 99 98 96 100 470 18.9 0.446 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6157 2436.9 3.1 scans 62% 91 m/z 0.46% 0.0629% 1856 1.3 193 213841 1787567 1726531 3-3 18: 91 117 207 194 92 115 208 193 65 312 104 118 51 179 178 195 78 102 0.952 25.61 0.6 98 98 96 98 312 22.1 1.312 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5563 2531.3 2.9 scans 35% 512 m/z 1.4% 0.0447% 1945 1.0 167 66888 1268827 1268827 0-0 17: 512 455 247 513 456 483 514 248 263 349 457 497 484 423 235 249 409 0.965 26.57 -1.8 93 93 79 94 512 59.5 12.609 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9341 2570.4 3.0 scans 93% 371 m/z 0.039% 1.39% 1981 0.7 934 2504219 39649170 38761996 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 71 103 116 75 145 117 85 101 1.000 26.39 55.8 90 98 98 100 459 115.6 1.537 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1008 Sucrose 27.4223 2621.5 3.0 scans 31% 361 m/z (397) 0.70% 0.0798% 2028 1.0 222 141035 2265972 2180518 0-4 11: 361 362 437 363 271 451 438 439 272 452 364 0.910 27.59 -18.0 95 97 87 97 437 41.6 3.500 -0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN LQC1-N1014 Sucrose 27.4223 2621.5 3.0 scans 27% 361 m/z 0.70% 0.0660% 2028 1.0 206 141860 1874205 1803525 0-4 11: 361 362 437 363 271 451 438 439 272 452 364 0.658 27.49 -7.2 97 97 81 97 437 41.6 4.078 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9126 2673.8 2.9 scans 86% 73 m/z 0.25% 0.466% 2074 1.1 567 392824 1.25% 13242160 13235950 35475106 1-0 20: 73 161 109 57 205 160 145 214 287 147 286 75 201 83 186 127 172 517 312 103 0.992 27.91 0.4 99 98 99 100 662 24.4 0.186 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0378 2687.2 2.7 scans 64% 161 m/z 0.85% 0.113% 2086 1.1 296 117406 1.11% 3227469 3227469 31501894 0-0 16: 161 109 57 287 205 145 201 160 127 517 301 162 172 182 574 130 0.987 28.03 0.5 98 97 97 99 574 23.9 0.653 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.3945 2726.6 2.7 scans 25% 399 m/z 1.4% 0.0278% 2120 1.2 138 70269 791607 770142 1-0 4: 399 400 401 488 0.570 28.19 22.7 92 94 54 93 487 22.2 2.587 0.202 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6775 2758.4 3.1 scans 86% TIC 0.37% 0.411% 2147 1.1 534 268252 1.31% 11686368 10777832 37177911 4-0 0.997 28.67 1.1 92 90 92 94 457 82.7 2.396 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1034 Nonacosane 29.5098 2852.1 3.0 scans 62% 57 m/z 0.46% 0.106% 2226 1.1 263 214962 3032584 2601921 3-11 19: 57 71 85 55 56 99 365 83 97 113 70 127 393 366 111 141 84 364 58 0.993 29.50 0.6 98 98 98 99 408 9.3 0.125 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8350 2888.6 3.2 scans 78% TIC 0.23% 0.198% 2257 0.8 371 420256 0.241% 5636517 5612337 6839600 2-0 0.985 29.83 0.9 96 95 99 100 408 22.4 0.367 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1038 Hexacosanol 30.1811 2929.1 3.1 scans 4.7% 439 m/z (193) 11% 0.00279% 2290 1.0 41 8982 0.00657% 79434 79434 186457 0-0 2: 439 440 0.550 30.17 1.0 85 93 48 93 439 24.8 36.171 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1042 C20:0-2-glycerol 30.3989 2955.0 3.0 scans 65% 189 m/z 0.29% 0.502% 2311 1.0 543 342149 14268624 13100676 1-2 17: 189 369 129 145 117 188 485 204 103 370 131 385 75 190 486 295 435 0.866 30.38 2.1 89 83 86 100 485 89.0 2.689 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4252 2958.1 3.4 scans 49% 193 m/z (189) 0.51% 0.212% 2313 1.0 332 193609 6035821 5609661 2-2 18: 193 119 105 163 120 91 176 194 515 247 106 195 307 164 92 529 223 230 0.961 30.36 8.0 82 84 82 84 529 14.4 0.189 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4757 2964.1 3.6 scans 87% TIC 0.13% 0.447% 2318 1.3 498 718709 1.22% 12701790 12098649 34623704 0-1 0.998 30.46 1.5 99 98 99 100 393 109.6 4.847 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2333 3054.1 3.5 scans 91% 57 m/z 0.047% 1.48% 2390 0.6 900 2123805 1.63% 42192655 40221273 46259538 1-1 20: 57 71 85 99 55 69 83 97 56 393 113 70 127 111 141 84 155 421 169 394 0.998 31.21 2.6 98 96 99 100 393 140.2 2.432 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1048 Hentriacontane 31.5479 3091.4 3.4 scans 91% 57 m/z 0.038% 1.74% 2420 0.5 973 2569648 49482235 47880285 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 125 0.998 31.53 1.9 100 99 100 100 436 55.9 0.331 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6879 3108.1 3.6 scans 11% 204 m/z 2.2% 0.00814% 2433 0.9 87 44737 0.0108% 231152 213710 306505 0-1 6: 204 598 217 597 337 205 0.754 31.68 1.5 81 84 66 82 597 12.6 2.123 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8457 3126.8 3.4 scans 92% 502 m/z 0.025% 2.22% 2448 0.5 1105 3974509 63059816 61494511 1-1 20: 502 237 503 73 236 238 504 277 57 221 223 239 208 71 74 55 505 193 69 75 1.000 31.79 6.4 100 99 99 100 502 522.7 22.445 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9530 3139.6 3.5 scans 69% 329 m/z 0.50% 0.385% 2458 1.1 450 198588 10941491 10366035 1-2 15: 329 129 368 353 458 95 330 107 119 121 145 328 105 369 91 0.965 31.87 10.2 96 95 91 97 458 65.8 2.142 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1256 3160.0 2.8 scans 78% 57 m/z 0.078% 0.696% 2475 0.7 675 1273674 19768419 19747553 0-1 20: 57 71 85 56 421 55 69 99 83 97 70 113 422 420 111 127 84 141 58 155 0.995 32.11 1.8 96 94 98 99 421 150.0 4.938 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3203 3183.2 2.9 scans 42% 57 m/z 0.22% 0.234% 2493 1.1 401 444951 6664696 6127346 5-2 17: 57 71 85 99 83 97 56 113 70 84 127 111 141 98 112 58 72 0.948 32.33 -0.7 89 89 96 93 785 0.0 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1004 Campesterol 32.7916 3239.1 3.5 scans 58% 129 m/z (57) 0.24% 0.766% 2538 0.8 616 409318 21752341 20289526 4-1 19: 129 343 382 472 367 95 75 107 344 121 145 119 383 105 342 81 159 93 91 0.953 32.21 69.0 82 95 84 97 472 94.7 2.364 0.582 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1046 Stigmasterol 32.9989 3263.8 3.3 scans 90% 83 m/z (309) 0.11% 1.71% 2558 0.5 976 902951 48811537 48811537 0-0 20: 83 129 55 255 69 81 73 394 484 75 159 133 105 119 145 107 95 93 97 91 0.999 32.98 2.0 93 93 98 97 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1157 3277.6 2.9 scans 84% 57 m/z 0.050% 1.21% 2569 0.6 867 1976777 34603373 32651740 1-3 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 126 112 169 0.996 33.10 2.2 87 84 97 93 515 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN WTF2-N1034 b-Sitosterol 33.4850 3321.5 3.4 scans 77% 129 m/z 0.24% 0.777% 2604 0.7 679 409230 1.06% 22055995 21726159 30082890 1-2 19: 129 357 396 486 381 95 75 121 57 107 119 81 358 397 145 105 356 55 159 0.991 32.88 72.2 85 96 98 99 486 91.7 1.825 0.608 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5850 3333.4 >5 scans 60% TIC 0.48% 0.263% 2613 1.1 437 204257 0.965% 7484543 7484543 27386782 0-0 0.979 33.57 1.6 96 94 94 98 505 98.5 5.090 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5924 3334.2 3.3 scans 16% 386 m/z (505) 2.5% 0.0987% 2614 1.3 228 39075 0.129% 2802131 2687000 3661031 1-2 7: 386 296 387 371 379 388 394 0.814 33.58 0.9 82 86 69 91 505 9.7 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6366 3339.5 4.7 scans 46% 505 m/z (386) 0.52% 0.318% 2618 1.0 396 192035 1.16% 9026299 9026299 32920899 0-0 20: 505 271 491 73 361 169 109 506 103 223 492 289 201 272 362 507 127 243 493 147 0.984 33.63 1.4 96 98 96 100 505 103.6 6.850 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7039 3347.5 3.6 scans 47% 505 m/z (204) 0.73% 0.249% 2625 1.0 376 135546 1.24% 7067828 7067828 35191305 0-0 20: 505 57 271 491 361 71 109 506 169 56 85 223 492 449 127 83 507 272 289 362 0.982 33.69 1.3 95 96 93 98 505 83.2 4.890 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8933 3370.0 3.3 scans 16% 441 m/z 0.84% 0.0369% 2643 0.9 141 118925 1049860 1027543 2-0 9: 441 442 308 646 509 443 510 427 511 0.745 33.80 11.6 89 87 68 96 646 25.6 3.294 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4594 3437.2 4.3 scans 83% 271 m/z 0.14% 1.72% 2697 1.0 861 694910 3.68% 48929608 47823871 104438713 1-0 20: 271 331 505 73 109 361 241 223 169 506 103 127 475 272 201 217 289 332 199 243 0.999 34.52 -7.0 100 99 99 100 505 191.1 4.926 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5835 3452.0 4.0 scans 12% 596 m/z (271) 0.47% 0.0895% 2708 0.9 201 211877 2541884 2462272 3-2 10: 596 597 598 316 599 302 318 356 370 600 0.717 34.47 13.3 94 97 75 98 596 120.7 35.984 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5983 3453.7 3.8 scans 62% 271 m/z 0.35% 0.444% 2710 1.1 503 280040 3.79% 12615655 12327368 107560522 0-2 19: 271 505 331 109 361 241 506 169 223 475 103 272 127 201 289 199 332 507 243 0.955 34.59 1.1 99 98 98 100 596 68.9 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN EXBLK5S-N1006 Contamination 6.3709 1048.2 1.8 scans 74% 207 m/z 0.60% 0.0290% 27 1.1 178 165797 0.0341% 871832 861388 1024930 1-0 16: 207 73 295 208 209 296 191 297 279 193 247 189 192 177 210 280 0.979 6.63 -15.1 98 97 94 97 295 57.8 10.542 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.9864 1084.7 >4 scans 31% 117 m/z 7.1% 0.00707% 86 999.0 61 13956 0.0407% 212594 212594 1223303 0-0 3: 117 147 148 0.968 6.82 9.8 92 92 80 96 295 0.0 0.000 0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1192 Contamination 8.0755 1149.3 2.2 scans 95% 147 m/z 0.22% 0.179% 189 1.0 381 440479 0.215% 5396734 4865249 6462168 11-0 19: 147 73 133 220 235 148 59 146 72 86 160 74 89 103 100 149 134 131 221 0.999 7.99 5.1 97 96 97 97 235 77.9 4.178 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1026 Cadaverine NC 8.1323 1152.7 2.5 scans 73% 174 m/z 1.2% 0.0187% 194 1.0 118 77960 0.0485% 562585 510023 1457745 0-4 16: 174 175 216 142 86 176 100 160 59 130 217 74 143 116 218 231 0.993 7.74 23.5 95 94 91 97 216 29.9 6.430 0.396 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1188 Contamination 8.3175 1163.6 2.4 scans 81% TIC 1.3% 0.0263% 212 1.8 147 72780 791457 781673 0-2 0.946 8.41 -5.8 98 97 80 99 369 42.5 8.372 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1186 Phosphate 8.5889 1179.7 2.2 scans 91% 241 m/z 0.47% 0.0395% 238 1.1 189 208920 1189537 1182964 0-2 19: 241 242 133 211 243 256 163 195 135 98 89 59 137 212 181 119 164 134 257 0.996 8.56 1.7 99 99 96 99 299 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1180 Benzoic acid 9.7411 1247.4 2.6 scans 43% 179 m/z 5.7% 0.00481% 347 1.3 59 17287 0.00908% 144695 139011 272914 4-1 6: 179 105 135 77 180 51 0.884 9.76 -1.1 93 93 85 95 194 9.0 2.368 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN VEN77_S6-N1002 Glycerol 10.0841 1267.5 4.4 scans 90% 299 m/z 0.014% 2.74% 380 0.4 1130 6669285 82497988 82123752 0-1 20: 299 300 314 301 133 283 315 207 211 193 191 316 135 302 74 225 284 115 119 208 0.952 10.09 -0.5 100 99 98 99 299 672.7 35.586 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LACTIC~1-N1034 Glycerol 10.0946 1268.1 2.2 scans 11% 205 m/z (299) 0.19% 0.241% 381 0.5 394 521357 7247667 6677704 9-0 17: 205 147 117 103 218 206 148 204 129 219 101 203 217 175 118 293 220 0.665 10.11 -0.9 84 94 54 94 293 30.3 0.589 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7186 1304.7 2.6 scans 78% 199 m/z (69) 1.0% 0.0602% 440 0.9 204 96753 1810613 1750997 5-0 15: 199 75 117 145 132 129 200 131 74 76 118 61 201 130 155 0.980 10.73 -0.9 94 93 94 99 209 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1168 Glyceric acid 10.9890 1321.0 2.3 scans 55% 147 m/z 5.0% 0.00622% 466 1.1 74 19687 0.00675% 187040 184084 202882 0-1 12: 147 292 189 103 293 133 102 307 205 190 215 59 0.984 11.05 -3.9 90 90 83 93 292 23.5 9.930 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0511 1324.7 2.4 scans 43% 184 m/z 5.9% 0.00612% 472 0.9 71 16705 184120 178774 1-1 11: 184 134 285 174 86 227 59 100 185 172 286 0.977 11.06 -0.8 93 94 81 93 285 23.1 10.719 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4204 1347.0 3.0 scans 23% 57 m/z 0.39% 0.0948% 507 0.7 227 252784 0.109% 2850256 2537868 3276169 5-0 19: 57 97 115 145 127 129 69 111 59 109 128 72 98 87 201 114 113 110 96 0.998 11.45 -1.5 91 91 87 92 145 68.3 9.060 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4635 1349.6 3.6 scans 96% TIC 0.018% 1.94% 511 0.5 1017 5301152 58326246 54853736 3-2 0.997 10.96 30.6 95 97 96 98 161 266.8 6.900 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN TAB_REP6-N1026 Malic acid 13.4764 1474.0 2.6 scans 93% TIC 0.27% 0.138% 702 1.1 319 361812 0.239% 4157915 3910837 7183527 2-1 0.996 13.53 -3.6 98 97 95 98 335 37.5 1.376 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9730 1505.6 2.7 scans 16% 156 m/z 6.2% 0.00300% 750 1.1 45 16124 90313 90313 0-0 4: 156 157 258 230 0.951 14.11 -9.1 89 91 80 91 273 0.0 0.000 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2866 1526.4 2.7 scans 58% 263 m/z 0.59% 0.0402% 779 1.0 169 169159 0.0405% 1209813 1194768 1217292 2-0 18: 263 264 73 278 447 239 265 279 448 175 449 247 207 240 191 335 119 149 0.965 14.33 -2.6 83 77 83 96 278 42.1 6.183 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6864 1552.9 3.1 scans 87% TIC 0.56% 0.0458% 817 1.3 181 176168 0.196% 1379200 1379200 5891093 0-0 0.998 14.16 34.6 90 90 89 98 250 34.2 3.590 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1044 Dodecanol 14.7359 1556.2 >3 scans 79% TIC 1.3% 0.0309% 822 1.0 145 76559 0.130% 930865 891758 3907358 0-1 0.997 14.24 32.8 93 95 92 97 243 72.1 24.685 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1974 1655.6 2.8 scans 50% 290 m/z 1.0% 0.0193% 961 1.8 108 95364 582433 561390 0-3 9: 290 291 292 392 158 144 131 115 293 0.749 16.28 -5.5 93 93 65 97 392 17.9 2.733 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5488 1680.0 2.8 scans 72% TIC 1.8% 0.0185% 994 1.1 134 52991 0.103% 556997 556997 3095829 0-0 1.000 16.63 -5.4 92 91 94 91 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1010 Glycerol-P 17.4800 1746.9 2.5 scans 97% 357 m/z 0.050% 1.40% 1083 0.7 1049 1974735 42267805 41963613 1-0 20: 357 299 73 147 358 315 300 445 370 211 359 103 101 301 133 387 129 256 218 328 0.996 16.97 37.4 96 99 99 99 445 164.3 2.456 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4354 1817.4 4.1 scans 89% 73 m/z 0.029% 3.36% 1174 0.5 1271 3382366 101154618 100062292 0-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 66 133 213 90 77 121 0.938 17.91 39.2 94 99 93 98 327 124.2 0.956 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1012 Phytol 18.5648 1827.3 2.9 scans 97% 68 m/z 0.087% 1.18% 1186 0.7 903 1136600 1.30% 35736060 35175938 39073576 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 39.2 95 98 99 99 278 52.9 0.343 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1016 Hexadecene 18.6290 1832.2 3.0 scans 88% TIC 0.40% 0.181% 1192 1.4 332 248070 4.69% 5442397 5030534 140965440 0-1 0.990 18.10 39.8 84 84 92 97 280 47.4 2.036 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6574 1834.4 2.7 scans 61% 285 m/z 1.7% 0.0339% 1195 0.9 151 57245 0.796% 1020624 925097 23925051 12-1 16: 285 117 132 129 286 145 118 116 287 300 201 61 241 76 257 130 0.998 18.73 -5.3 95 94 82 94 300 15.1 1.000 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1076 Pregnane?? 18.7763 1843.4 2.7 scans 84% 345 m/z 0.75% 0.0705% 1206 1.1 232 131645 2120387 2052148 1-1 20: 345 73 255 346 147 347 334 256 435 74 148 133 372 257 419 239 149 348 243 215 0.996 18.86 -6.3 94 93 88 93 537 13.4 0.332 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8605 1849.8 2.7 scans 93% 81 m/z 0.51% 0.195% 1214 1.0 383 194345 5861673 5622839 1-2 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 124 109 97 53 56 110 111 0.999 18.58 21.4 95 93 97 99 278 43.0 1.262 0.281 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1072 Fructose 18.9510 1856.7 2.7 scans 85% 73 m/z 0.46% 0.0991% 1223 1.0 265 212974 2980920 2855598 8-0 20: 73 103 307 217 147 308 277 133 218 205 309 189 104 74 117 89 364 148 219 172 0.998 19.03 -6.3 94 93 94 93 364 24.7 0.874 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1002 Phytol 18.8min 19.1056 1868.5 3.1 scans 95% TIC 0.27% 0.488% 1237 0.6 533 369183 14692049 14341097 2-0 0.999 18.84 20.2 93 91 98 92 278 71.6 1.807 0.266 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1064 Mannose 19.2729 1881.3 2.6 scans 91% 73 m/z 0.20% 0.252% 1253 1.1 433 485874 7586548 7187435 1-1 20: 73 319 205 147 160 320 217 103 206 321 117 74 133 229 148 189 161 207 129 157 0.996 19.45 -13.9 98 97 97 97 319 155.6 12.882 -0.182 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BRA4_R~2-N1004 Galactose 19.5202 1900.2 3.0 scans 80% 73 m/z 0.89% 0.0734% 1277 1.2 228 111194 0.127% 2208648 2208648 3817188 0-0 20: 73 319 147 160 320 103 57 71 88 85 217 321 102 99 74 229 89 113 148 127 0.990 19.36 12.1 90 89 74 91 364 0.0 0.000 0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9243 1932.7 2.6 scans 86% 204 m/z (69) 0.28% 0.125% 1315 1.2 298 350161 3763223 3537526 2-1 18: 204 217 205 159 147 206 129 218 103 191 189 133 219 160 148 291 305 149 0.995 19.91 1.0 95 95 95 99 361 13.7 0.211 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7965 2002.9 3.0 scans 94% TIC 0.25% 0.494% 1398 1.0 580 389576 0.560% 14866342 14696045 16831694 1-2 0.999 20.27 42.7 82 83 94 98 322 38.4 0.438 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1038 C16:0 21.1701 2034.3 3.6 scans 97% 313 m/z 0.027% 3.40% 1434 0.4 1345 3678871 102211684 98846744 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 315 69 269 74 285 1.000 20.62 46.0 94 99 99 100 328 154.4 1.319 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6709 2076.4 2.8 scans 86% 305 m/z 0.33% 0.237% 1481 1.0 409 297307 7145162 7132190 1-0 18: 305 217 147 318 191 306 265 319 218 204 307 432 320 129 148 133 192 219 0.996 21.75 -6.5 99 98 97 98 507 26.7 0.425 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9697 2101.5 3.0 scans 63% 327 m/z 1.7% 0.0480% 1510 1.2 174 57748 1445522 1402976 1-2 12: 327 117 132 145 328 342 201 118 329 146 299 116 0.966 22.33 -31.5 94 97 94 97 342 22.0 1.602 -0.360 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1865 2120.5 2.9 scans 9.7% 396 m/z 11% 0.00277% 1530 1.5 42 8811 0.00366% 83466 83466 110007 0-0 5: 396 219 397 381 398 0.744 22.19 -0.0 82 85 46 85 396 24.5 33.552 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1040 Phytol 22.6263 2158.9 3.1 scans 84% 143 m/z 0.11% 0.229% 1572 1.1 381 840243 0.235% 6890722 6544649 7063300 4-3 16: 143 73 75 144 123 81 145 124 95 103 82 97 74 67 96 68 0.991 22.08 47.4 80 83 90 95 181 0.0 0.000 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1913 2208.6 5.4 scans 95% 79 m/z 0.036% 6.90% 1626 0.2 1613 2722201 7.83% 207489827 205245479 235343154 0-1 20: 79 75 73 95 67 93 108 80 81 91 107 55 94 121 129 335 135 149 77 117 0.992 23.12 6.8 98 97 99 97 350 111.1 0.475 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1036 C18:0 23.4207 2229.6 2.9 scans 93% TIC 0.093% 0.887% 1647 0.8 750 1070311 26683740 24060156 3-3 0.998 22.89 47.8 93 99 98 99 356 97.5 1.692 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7237 2257.3 2.8 scans 15% 163 m/z 2.1% 0.0127% 1676 1.1 95 46603 0.0192% 382236 368865 577087 2-0 5: 163 331 165 332 88 0.600 23.72 0.4 84 84 61 90 331 21.9 5.380 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1572 2296.9 3.4 scans 43% 204 m/z 0.85% 0.0437% 1717 0.9 158 116883 0.0528% 1313739 1188793 1586988 0-9 19: 204 205 217 337 147 103 206 219 218 338 191 361 101 203 339 189 243 221 362 0.787 24.18 -2.2 89 90 83 91 581 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1018 myo-Inositol 25.2263 2398.4 3.4 scans 70% TIC 0.61% 0.125% 1819 1.3 290 162971 0.369% 3769138 3748623 11090884 0-1 0.945 25.21 1.6 98 97 93 99 470 20.1 0.478 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6356 2438.9 3.5 scans 46% 91 m/z 0.77% 0.0380% 1858 1.4 145 128258 0.0463% 1143848 1018426 1391620 5-2 16: 91 117 194 207 92 115 193 65 208 104 312 51 118 63 178 128 0.960 25.61 2.6 96 96 95 96 312 17.1 1.395 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3132 2506.2 3.2 scans 46% 204 m/z (161) 0.50% 0.108% 1922 1.3 224 197006 0.128% 3266022 2474630 3847244 14-0 14: 204 73 217 205 147 219 206 74 133 148 101 189 203 232 0.956 25.86 45.5 82 86 89 99 361 10.2 0.206 0.457 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5731 2533.1 2.7 scans 37% 512 m/z (218) 1.1% 0.0584% 1947 1.0 204 90135 1756337 1664671 1-1 15: 512 455 247 513 456 514 248 483 349 263 457 423 497 235 484 0.953 26.57 -0.0 93 94 86 96 512 65.5 10.335 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9508 2572.1 2.9 scans 91% TIC 0.029% 1.53% 1983 0.7 1062 3335272 1.60% 46275142 45466133 48090555 7-0 1.000 26.39 57.5 90 98 97 100 459 132.6 1.563 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1008 Sucrose 27.4338 2622.7 3.0 scans 64% 361 m/z (397) 0.15% 0.404% 2029 1.0 487 628799 12171793 10513206 1-21 13: 361 217 362 437 363 271 451 438 218 169 243 439 364 0.992 27.59 -16.8 96 96 95 99 437 84.4 3.008 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN LQC1-N1010 Sucrose 27.4338 2622.7 3.0 scans 64% 361 m/z 0.15% 0.370% 2029 1.0 484 629341 11147450 9628445 1-21 13: 361 217 362 437 363 271 451 438 218 169 243 439 364 0.956 27.58 -15.5 99 98 96 99 437 85.0 3.078 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9294 2675.6 2.7 scans 87% 73 m/z 0.19% 0.574% 2076 1.0 675 524977 1.59% 17281373 17281373 47789989 0-0 20: 73 161 109 57 205 145 160 214 287 147 286 201 75 83 127 186 517 172 301 312 0.999 27.91 2.2 99 97 99 100 662 31.3 0.215 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0535 2688.9 2.9 scans 62% 161 m/z 0.69% 0.147% 2088 0.9 322 143876 1.28% 4445771 4445771 38472444 0-0 17: 161 109 57 287 205 145 517 160 201 127 182 245 574 162 301 172 289 0.985 28.03 2.2 96 94 94 98 574 28.9 0.807 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1030 C18:0-2-glycerol 28.6996 2760.9 3.2 scans 85% 189 m/z 0.18% 0.885% 2149 1.1 735 553711 1.21% 26611568 26611568 36368482 0-0 19: 189 341 117 129 145 457 188 103 57 75 342 357 55 131 71 69 83 97 190 0.996 28.67 3.6 92 90 91 94 457 123.5 2.827 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7501 2766.6 3.0 scans 87% TIC 0.046% 1.04% 2154 0.7 831 2155884 1.76% 31473121 30288191 52899611 0-1 0.986 28.19 62.7 86 96 93 97 487 108.4 1.705 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8475 2890.0 3.3 scans 41% 57 m/z 1.0% 0.0524% 2258 1.0 169 95537 1577235 1304974 4-6 14: 57 71 85 99 56 70 113 127 140 112 58 141 72 126 0.972 29.83 2.3 89 90 95 92 408 10.3 0.372 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1042 C20:0-2-glycerol 30.4157 2957.0 3.3 scans 88% TIC 0.14% 1.29% 2312 1.5 836 704032 1.42% 38801281 37676242 42680368 1-0 0.972 30.38 4.1 88 81 75 100 485 129.5 2.401 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4431 2960.2 3.8 scans 47% 193 m/z (189) 0.52% 0.219% 2315 1.1 327 189604 6589085 6324565 1-1 16: 193 105 119 163 120 194 176 91 515 247 106 516 164 92 529 530 0.892 30.36 10.1 89 92 86 91 529 14.5 0.196 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4841 2965.1 >5 scans 70% TIC 0.39% 0.150% 2319 2.2 299 250805 1.17% 4528167 4320988 35166218 0-1 0.996 30.46 2.5 98 96 98 99 393 62.5 4.353 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2333 3054.1 3.3 scans 84% 57 m/z 0.10% 0.567% 2390 0.9 589 957893 0.650% 17069614 16575785 19536788 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 421 155 394 98 0.994 31.21 2.6 99 97 99 100 393 89.0 2.287 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1048 Hentriacontane 31.5405 3090.6 3.3 scans 80% 57 m/z 0.086% 0.680% 2419 0.8 641 1160757 20467330 19941124 2-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 72 0.994 31.53 1.1 99 98 99 100 436 37.0 0.333 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7004 3109.6 7.3 scans 20% 204 m/z 1.4% 0.0152% 2434 1.3 124 70770 0.103% 458198 408313 3095829 0-1 14: 204 597 205 337 598 217 73 103 206 129 191 338 147 361 0.895 31.68 3.0 88 90 82 89 597 16.4 1.748 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8404 3126.2 3.0 scans 87% 502 m/z 0.053% 0.833% 2448 0.8 732 1875423 25056701 24249653 1-1 18: 502 237 503 73 236 238 504 57 277 221 223 71 55 208 239 74 505 193 0.999 31.79 5.8 100 99 99 100 502 356.7 23.774 0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9635 3140.8 3.5 scans 67% 329 m/z 0.64% 0.285% 2459 1.2 399 155197 8583289 8263331 0-3 14: 329 129 368 353 458 95 330 107 119 121 105 328 145 369 0.984 31.87 11.4 96 94 93 97 458 59.0 2.189 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1350 3161.2 3.4 scans 65% 57 m/z 0.12% 0.456% 2476 0.8 525 783174 0.522% 13720664 13365273 15689544 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 127 111 84 141 58 125 0.989 32.11 3.0 98 97 99 99 421 119.9 5.223 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1004 Campesterol 32.8032 3240.5 3.7 scans 51% 343 m/z 0.36% 0.460% 2539 0.8 500 272208 13841712 12727897 1-1 17: 343 129 382 472 367 95 344 119 107 121 383 342 145 105 159 473 93 0.906 32.21 70.4 83 95 83 97 472 77.2 2.383 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1046 Stigmasterol 33.0031 3264.3 3.2 scans 84% 83 m/z 0.15% 1.07% 2558 0.7 838 649841 32441004 29803045 1-1 20: 83 129 55 255 394 81 69 73 484 75 159 133 105 119 145 355 107 93 351 97 0.994 32.98 2.5 93 90 97 97 665 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1177 3277.9 3.2 scans 77% 57 m/z 0.078% 0.739% 2569 0.8 684 1273954 22220720 20484161 1-4 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.990 33.10 2.5 88 86 97 92 515 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN WTF2-N1034 b-Sitosterol 33.4934 3322.5 3.7 scans 63% 129 m/z 0.46% 0.363% 2605 0.8 479 215964 0.721% 10924119 10595841 21670806 1-2 19: 129 357 396 486 381 358 95 75 119 107 121 145 57 105 397 81 356 159 55 0.993 32.88 73.2 85 97 98 99 486 68.1 2.025 0.616 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6007 3335.2 >4 scans 57% 505 m/z (386) 0.36% 0.478% 2615 1.0 490 276416 2.03% 14390611 13370885 61014892 3-0 20: 505 271 361 73 491 169 109 506 103 223 362 129 127 272 492 201 289 507 147 243 0.973 33.63 -2.9 96 96 95 99 505 120.6 6.067 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.6018 3335.4 >4 scans 66% TIC 0.34% 0.365% 2615 1.0 528 286184 1.58% 10980576 10382016 47489423 1-0 0.995 33.57 3.6 94 93 93 97 505 123.9 5.511 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7228 3349.7 >4 scans 44% 505 m/z (204) 0.65% 0.300% 2627 1.0 410 151957 1.92% 9036012 9036012 57708666 0-0 20: 505 271 491 57 361 109 506 169 223 103 492 507 127 272 85 289 83 362 201 55 0.962 33.69 3.5 95 97 93 99 505 98.1 5.716 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9101 3372.0 3.7 scans 9.2% 441 m/z 1.4% 0.0185% 2644 1.0 98 68442 558158 544608 1-0 6: 441 442 308 646 443 647 0.700 33.80 13.6 92 92 64 95 646 19.5 3.947 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4814 3439.8 4.8 scans 87% 271 m/z 0.11% 2.21% 2699 0.9 948 836655 4.61% 66545316 63679946 138560912 1-0 20: 271 505 331 73 109 361 241 169 223 506 127 475 103 217 272 201 199 289 332 243 0.999 34.52 -4.4 100 99 99 100 505 215.2 5.149 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6077 3454.8 4.2 scans 7.3% 596 m/z (271) 0.58% 0.0691% 2711 0.8 177 171752 2078715 2007118 1-1 7: 596 597 598 316 599 356 524 0.721 34.47 16.1 94 97 75 98 596 108.0 37.160 0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.6182 3456.1 4.3 scans 72% 271 m/z 0.30% 0.535% 2712 1.1 556 324504 4.51% 16109886 16109886 135555252 0-0 20: 271 505 73 331 109 361 241 506 169 223 475 103 127 272 217 199 201 289 332 243 0.971 34.59 3.5 99 97 98 100 596 67.7 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN EXBLK5S-N1006 Contamination 6.3700 1048.2 1.8 scans 68% 207 m/z 0.56% 0.0337% 27 1.0 192 184360 1180215 1086385 1-1 19: 207 295 208 209 296 191 297 279 193 189 177 210 192 247 265 263 298 280 119 0.851 6.63 -15.1 98 98 94 98 295 59.9 9.773 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1192 Contamination 8.1009 1150.8 2.6 scans 93% TIC 0.16% 0.283% 191 1.7 427 636934 0.327% 9906475 8814855 11429290 2-1 0.997 7.99 6.6 95 94 96 95 235 87.4 4.187 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1026 Cadaverine NC 8.1282 1152.4 2.3 scans 72% 174 m/z (147) 0.35% 0.0624% 194 0.8 210 288005 2181272 1859163 17-0 12: 174 175 216 142 176 217 143 218 231 172 128 177 0.932 7.74 23.2 91 91 85 97 216 51.9 6.086 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1188 Contamination 8.3103 1163.2 2.6 scans 82% TIC 1.6% 0.0299% 211 1.5 129 62492 0.0350% 1048538 747530 1223318 2-8 0.983 8.41 -6.2 98 97 81 99 369 37.3 8.396 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1186 Phosphate 8.6080 1180.9 2.3 scans 94% 241 m/z 0.19% 0.0931% 240 1.1 287 529912 3254838 3254838 0-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 137 212 121 181 257 164 0.999 8.56 2.9 100 99 99 100 299 0.0 0.000 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1180 Benzoic acid 9.7518 1248.0 2.4 scans 46% 179 m/z 4.9% 0.00466% 348 1.1 61 20909 163199 161937 1-0 7: 179 105 135 77 180 51 194 0.931 9.76 -0.5 94 93 87 96 194 9.4 2.345 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN VEN77_S6-N1002 Glycerol 10.0979 1268.3 4.8 scans 90% 299 m/z 0.014% 2.91% 381 0.4 1130 7315758 101818234 100311803 0-1 20: 299 300 314 207 283 315 211 193 191 135 74 75 225 284 134 189 208 181 195 137 0.944 10.09 0.3 100 99 97 99 299 662.5 34.557 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LACTIC~1-N1034 Glycerol 10.1011 1268.5 4.0 scans 23% 73 m/z (299) 0.063% 0.716% 382 0.3 576 1627165 25031791 22671398 7-1 20: 73 147 205 133 207 117 103 191 135 206 74 148 75 131 59 115 149 119 134 189 0.840 10.11 -0.5 85 87 83 95 293 26.5 0.212 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7229 1305.0 2.7 scans 74% 199 m/z 1.1% 0.0529% 441 0.9 187 93679 1852079 1627019 11-1 15: 199 75 73 117 145 132 200 131 129 74 118 61 76 201 155 0.936 10.73 -0.6 92 90 87 98 209 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1168 Glyceric acid 10.9902 1321.1 2.7 scans 50% 73 m/z 5.7% 0.00475% 466 1.4 67 17983 0.0132% 166077 165050 461366 1-0 10: 73 189 147 292 103 133 293 205 102 74 0.908 11.05 -3.8 85 84 77 92 292 19.6 8.428 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0565 1325.1 2.5 scans 83% 184 m/z 1.1% 0.0382% 472 1.1 172 93273 0.0406% 1337711 1271429 1419049 1-1 20: 184 134 285 73 174 77 86 100 227 185 59 286 172 186 135 175 130 110 287 60 0.991 11.06 -0.4 98 97 95 99 285 51.8 9.038 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4216 1347.1 3.0 scans 27% 57 m/z 0.43% 0.0672% 507 0.7 208 237567 0.0977% 2349387 2130434 3414806 3-0 20: 57 97 115 145 127 129 69 111 109 59 128 72 71 87 98 58 201 114 113 110 0.996 11.45 -1.4 92 92 87 91 145 61.6 8.789 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4742 1350.2 3.9 scans 96% 84 m/z 0.017% 1.96% 512 0.5 1017 5878704 68569113 67113220 1-1 20: 84 133 162 161 119 92 118 85 82 65 51 130 134 78 63 117 55 91 120 52 0.998 10.96 31.2 94 95 96 98 161 270.1 7.063 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1146 Malic acid 13.4713 1473.7 2.5 scans 92% TIC 0.25% 0.132% 702 0.9 321 408541 0.221% 4633693 4391249 7724382 1-2 0.983 13.62 -9.1 98 97 95 97 350 6.4 0.039 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6803 1552.5 2.8 scans 85% 174 m/z 0.42% 0.0524% 817 1.1 195 240905 0.0552% 1831848 1831848 1929348 0-0 20: 174 73 175 86 176 250 100 59 91 251 130 74 162 117 65 121 177 87 143 172 0.998 14.16 34.2 90 91 90 97 250 37.0 3.606 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1044 Dodecanol 14.7297 1555.8 3.7 scans 83% TIC 0.97% 0.0358% 821 0.9 152 105651 0.105% 1251332 1248401 3669955 0-1 0.999 14.24 32.4 95 97 95 99 243 79.6 27.411 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1891 1655.0 2.8 scans 59% 290 m/z 1.0% 0.0212% 960 1.8 115 94997 741593 725607 0-3 8: 290 291 292 392 158 144 393 293 0.855 16.28 -6.1 94 92 84 98 392 17.4 2.286 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5437 1679.6 2.8 scans 82% 55 m/z 0.80% 0.0640% 994 1.4 196 127660 2239804 1764893 9-2 18: 55 83 69 97 70 56 84 111 82 113 127 98 68 67 140 54 96 168 0.977 16.63 -5.8 96 95 93 95 210 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1010 Glycerol-P 17.4749 1746.6 2.7 scans 95% 357 m/z 0.049% 1.39% 1082 0.7 999 2077442 48602325 46449750 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 301 103 101 387 133 129 256 218 328 1.000 16.97 37.1 96 99 99 99 445 161.4 2.612 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5507 1752.1 2.6 scans 57% 217 m/z 1.3% 0.0238% 1090 1.0 135 79428 0.202% 832307 832307 7060295 0-0 12: 217 218 147 219 450 305 191 257 232 451 148 203 0.989 17.63 -5.9 84 83 75 85 450 19.4 2.076 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4292 1817.0 4.1 scans 95% 73 m/z 0.027% 3.42% 1173 0.5 1288 3737626 119814583 118162851 1-0 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 213 66 133 58 90 121 77 0.990 17.91 38.8 95 99 98 99 327 123.7 0.923 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1012 Phytol 18.5629 1827.1 3.0 scans 97% 68 m/z 0.082% 1.21% 1186 0.5 896 1259509 1.35% 42579939 41805389 47185140 1-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 70 110 0.999 18.04 39.0 94 98 99 99 278 52.8 0.348 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6502 1833.8 2.7 scans 51% 285 m/z 1.5% 0.0310% 1194 0.9 152 65799 1084816 946257 8-1 14: 285 117 132 129 286 145 118 300 287 201 61 130 241 257 0.996 18.73 -5.9 95 94 82 95 300 15.1 0.997 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8533 1849.3 2.7 scans 92% 81 m/z 0.48% 0.199% 1213 1.1 377 210874 6987546 6611109 1-2 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 124 97 109 278 56 110 53 0.996 18.58 20.9 96 93 98 99 278 43.9 1.357 0.274 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1072 Fructose 18.9427 1856.1 2.6 scans 91% 73 m/z 0.21% 0.189% 1222 1.0 385 485952 6623523 6358699 2-1 20: 73 103 307 217 147 308 218 277 133 74 309 104 205 189 117 364 89 219 148 172 0.997 19.03 -6.9 97 96 97 96 364 36.7 0.912 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1070 Fructose 19.0648 1865.4 >2 scans 88% TIC 0.27% 0.134% 1233 0.9 332 368976 0.732% 4714909 4321475 25584832 3-0 0.998 19.19 -9.9 93 92 94 92 554 14.9 0.201 -0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1064 Mannose 19.2636 1880.6 2.7 scans 86% 73 m/z (71) 0.38% 0.121% 1252 1.1 297 268715 0.237% 4241753 4241753 8283614 0-0 20: 73 319 205 160 147 320 217 103 206 321 117 74 161 133 229 207 157 148 189 129 0.992 19.45 -14.6 95 96 95 96 319 107.0 12.946 -0.191 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN TAB_REP6-N1054 Galactose 19.2889 1882.5 4.5 scans 82% 71 m/z (204) 2.4% 0.0330% 1255 1.3 119 42350 0.0863% 1153988 1050092 3016354 4-0 4: 71 57 85 99 0.960 19.22 5.5 86 87 69 89 376 0.0 0.000 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BRA4_R~2-N1004 Galactose 19.5109 1899.5 2.9 scans 66% 73 m/z 1.7% 0.0304% 1276 1.1 156 59245 0.0616% 1065995 959793 2153040 1-0 20: 73 319 160 147 320 103 71 85 57 217 321 88 206 99 89 102 207 161 113 229 0.974 19.36 11.4 88 88 70 89 364 0.0 0.000 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9170 1932.1 2.8 scans 78% 204 m/z 0.28% 0.125% 1314 1.3 273 356593 4391782 3466922 12-2 20: 204 73 217 205 159 147 206 129 218 103 74 191 219 189 133 160 148 305 131 203 0.978 19.91 0.4 96 93 93 99 361 12.1 0.196 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2779 1961.1 2.7 scans 44% 204 m/z 1.8% 0.0146% 1349 1.1 105 55963 511412 478675 1-1 10: 204 191 205 217 206 192 189 218 193 148 0.970 20.41 -10.9 87 87 85 87 217 24.4 5.380 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7904 2002.4 3.0 scans 93% 75 m/z 0.23% 0.540% 1397 0.9 578 438470 18883461 16996592 8-1 20: 75 73 79 67 93 95 108 80 91 129 55 117 81 307 94 77 121 107 135 145 1.000 20.27 42.2 82 82 94 97 322 40.0 0.477 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1038 C16:0 21.1618 2033.6 3.5 scans 98% 117 m/z 0.025% 3.17% 1433 0.4 1353 4114519 110901506 110894420 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 118 328 57 69 201 74 116 269 315 1.000 20.62 45.3 94 99 99 100 328 155.1 1.316 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6626 2075.7 2.9 scans 65% 305 m/z 0.96% 0.0679% 1480 1.0 216 106812 2376148 2338327 3-0 18: 305 217 147 318 191 306 265 319 218 307 432 433 320 219 148 192 367 291 0.989 21.75 -7.2 96 95 92 95 507 14.9 0.475 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9625 2100.9 2.8 scans 69% 327 m/z 1.1% 0.0546% 1509 1.0 199 90706 1908439 1831040 1-3 14: 327 117 132 328 145 129 342 329 118 201 146 299 283 116 0.982 22.33 -32.1 95 97 95 98 342 25.0 1.573 -0.367 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3971 2138.9 3.1 scans 28% 204 m/z (327) 4.1% 0.00793% 1550 1.0 67 25101 0.0639% 277359 239314 2233430 3-4 5: 204 249 205 206 218 0.858 22.71 -27.6 82 88 81 88 518 0.0 0.000 -0.317 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1040 Phytol 22.6191 2158.3 3.1 scans 88% 143 m/z 0.080% 0.305% 1571 1.1 445 1276409 10664031 9799021 5-1 18: 143 73 75 144 123 81 55 57 145 124 95 82 103 97 83 67 74 68 0.997 22.08 46.8 81 83 90 96 181 6.4 0.021 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1042 C18:2 23.0747 2198.1 >4 scans 69% 337 m/z (341) 0.47% 0.252% 1615 5.2 388 218581 1.08% 8831269 8831269 37748112 0-0 4: 337 220 338 234 0.999 22.53 47.3 84 91 95 96 352 22.5 0.335 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1904 2208.5 6.2 scans 93% 75 m/z 0.039% 6.55% 1626 0.2 1502 2624556 7.28% 229281211 222729499 254450238 0-2 20: 75 79 73 95 335 93 67 108 81 129 80 91 107 94 55 149 121 135 77 122 0.995 23.12 6.7 99 98 99 98 350 109.0 0.527 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1036 C18:0 23.4145 2229.0 2.8 scans 93% 341 m/z 0.079% 0.811% 1647 0.7 770 1294147 28348551 27596126 2-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 69 118 201 343 74 297 116 1.000 22.89 47.2 93 99 99 99 356 99.8 1.679 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7176 2256.7 2.7 scans 20% 163 m/z 1.0% 0.0205% 1676 1.0 122 94559 0.0274% 717761 668187 957684 1-1 6: 163 331 165 332 90 179 0.742 23.72 -0.2 91 92 74 94 331 28.6 5.513 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1479 2296.1 3.6 scans 32% 204 m/z (333 117) 0.85% 0.0431% 1717 1.0 149 120355 0.0523% 1508443 1331531 1827987 0-8 17: 204 337 205 217 147 103 206 338 219 218 361 191 339 203 189 243 291 0.908 24.01 12.6 87 92 84 93 490 0.0 0.000 0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1479 2296.1 3.6 scans 34% 204 m/z (117) 0.85% 0.0450% 1717 1.0 152 120404 0.0547% 1575834 1391018 1911872 0-8 17: 204 337 205 217 147 103 206 338 219 218 361 191 339 203 189 243 291 0.823 24.18 -3.0 89 93 86 92 581 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1018 myo-Inositol 25.2170 2397.5 3.2 scans 75% TIC 0.54% 0.130% 1818 1.2 299 190443 0.371% 4555657 4555657 12967176 0-0 0.974 25.21 0.7 98 96 95 100 470 20.9 0.487 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6294 2438.3 3.3 scans 52% 91 m/z 0.63% 0.0402% 1857 1.3 155 161701 0.0582% 1408204 1321409 2034204 4-3 16: 91 117 194 207 92 208 193 115 312 65 104 118 51 178 116 63 0.981 25.61 2.0 97 97 96 97 312 18.8 1.488 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5627 2532.0 2.8 scans 39% 512 m/z (218) 1.2% 0.0498% 1946 1.1 190 86026 1743285 1666947 1-1 16: 512 455 247 513 456 514 483 248 263 349 457 497 484 423 235 409 0.943 26.57 -1.1 94 95 86 96 512 62.9 10.963 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9426 2571.2 2.9 scans 91% 371 m/z 0.032% 1.34% 1982 0.6 969 3196871 47073025 45315015 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 103 55 71 116 145 75 101 117 85 1.000 26.39 56.6 90 98 98 100 459 122.2 1.596 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1008 Sucrose 27.4255 2621.8 2.9 scans 48% 361 m/z 0.31% 0.134% 2028 1.0 314 329579 4708991 4337013 1-2 11: 361 362 437 363 271 451 438 439 364 452 272 0.944 27.59 -17.7 98 97 89 98 437 58.5 3.474 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN LQC1-N1010 Sucrose 27.4255 2621.8 2.9 scans 50% 361 m/z (397) 0.31% 0.149% 2028 1.0 320 329505 5213649 4801807 1-2 11: 361 362 437 363 271 451 438 439 364 452 272 0.967 27.58 -16.4 97 98 94 99 437 58.5 3.333 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9190 2674.5 2.9 scans 83% 73 m/z 0.25% 0.394% 2075 1.1 550 407592 1.07% 13776031 12691395 37398593 1-0 20: 73 161 109 57 205 160 145 287 214 147 286 75 83 201 517 127 186 172 312 301 0.988 27.91 1.1 99 98 98 100 662 25.6 0.217 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9906 2682.1 3.3 scans 74% TIC 0.40% 0.209% 2082 0.9 430 254008 0.882% 7320611 7320611 30827625 0-0 0.991 27.98 0.9 100 99 99 99 662 20.3 0.223 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0442 2687.9 2.9 scans 64% 161 m/z 0.85% 0.0983% 2087 1.2 287 120915 0.962% 3436153 3436153 33623782 0-0 16: 161 109 57 287 205 145 517 201 160 127 574 182 172 162 83 288 0.984 28.03 1.2 96 95 97 99 574 25.0 0.758 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1030 C18:0-2-glycerol 28.6861 2759.4 3.6 scans 85% TIC 0.43% 0.300% 2148 1.2 469 239841 1.18% 10518222 10507273 41243308 1-0 0.997 28.67 2.1 92 90 91 94 457 75.5 2.592 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7397 2765.4 3.0 scans 91% TIC 0.048% 0.864% 2153 0.8 785 2132728 1.13% 30216586 29098725 39495710 0-1 0.999 28.19 61.5 88 97 97 99 487 102.0 1.691 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1034 Nonacosane 29.5194 2853.1 3.2 scans 60% 57 m/z 0.48% 0.0912% 2227 1.2 248 212459 3190959 3010033 2-2 18: 57 71 85 55 99 56 365 83 97 113 70 127 393 84 366 141 364 86 0.987 29.50 1.6 96 96 97 98 408 8.0 0.104 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8456 2889.8 3.3 scans 74% 57 m/z 0.25% 0.189% 2258 1.1 345 406500 6637525 6171576 5-2 20: 57 71 85 55 99 69 83 97 56 70 113 127 84 111 141 98 155 112 86 58 0.991 29.83 2.1 96 93 99 100 408 21.6 0.392 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1038 Hexacosanol 30.1917 2930.4 3.6 scans 3.0% 439 m/z 9.7% 0.00197% 2291 1.1 33 10595 0.00421% 68948 68948 147148 0-0 2: 439 440 0.705 30.17 2.3 89 97 46 96 439 25.2 57.690 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1042 C20:0-2-glycerol 30.4054 2955.7 3.1 scans 65% 189 m/z 0.37% 0.358% 2311 1.2 476 277794 12528512 11330990 1-2 15: 189 369 129 204 117 145 188 485 131 370 385 435 295 486 190 0.855 30.38 2.8 83 75 80 100 485 77.1 2.616 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4348 2959.2 3.5 scans 47% 193 m/z (189) 0.61% 0.156% 2314 1.1 290 168583 5468263 5049857 2-1 16: 193 105 119 163 120 194 176 91 515 247 325 516 106 164 307 529 0.943 30.36 9.1 81 83 83 84 529 12.4 0.184 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4853 2965.2 3.8 scans 85% TIC 0.14% 0.373% 2319 1.3 478 733908 0.963% 13037507 12581181 33658733 0-1 0.997 30.46 2.6 99 97 99 100 393 108.8 5.178 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2439 3055.3 3.6 scans 91% 57 m/z 0.046% 1.32% 2391 0.6 874 2229149 1.47% 46374072 46331671 51379375 0-1 20: 57 71 85 99 55 69 83 393 97 56 113 70 127 111 141 84 155 421 394 98 0.998 31.21 3.8 98 96 98 99 393 138.6 2.521 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1048 Hentriacontane 31.5575 3092.6 3.7 scans 90% 57 m/z 0.040% 1.53% 2421 0.5 916 2545328 53620319 52673713 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 126 0.999 31.53 3.1 99 98 100 98 436 55.4 0.367 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6943 3108.8 7.0 scans 20% 204 m/z 1.2% 0.0150% 2434 1.2 123 80671 0.0949% 526576 514177 3316941 0-1 13: 204 597 337 205 73 103 217 361 598 206 243 191 338 0.897 31.68 2.2 89 90 80 90 597 16.7 1.842 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8542 3127.8 3.5 scans 91% 502 m/z 0.023% 1.90% 2449 0.5 1066 4328074 66485791 66059900 1-0 20: 502 237 503 73 236 238 504 57 277 221 223 55 208 239 74 71 505 69 193 75 1.000 31.79 7.4 100 99 99 100 502 509.6 22.909 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9647 3140.9 3.7 scans 66% 329 m/z 0.52% 0.324% 2459 1.1 416 195897 11341625 10766287 1-2 15: 329 129 368 458 353 330 95 121 119 107 328 105 145 369 91 0.971 31.87 11.5 96 95 92 97 458 63.3 2.313 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1352 3161.2 3.1 scans 70% 57 m/z 0.085% 0.594% 2476 0.7 623 1210224 0.684% 20785638 20131521 23907138 2-0 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 127 111 141 84 155 58 0.990 32.11 3.0 97 95 98 99 421 146.7 5.540 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1004 Campesterol 32.8033 3240.5 3.7 scans 52% 343 m/z 0.26% 0.585% 2539 0.7 565 391114 20451931 19348414 1-1 17: 343 129 382 472 367 107 344 383 95 121 145 119 105 342 159 473 93 0.973 32.21 70.4 82 94 82 96 472 90.6 2.568 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1046 Stigmasterol 33.0085 3264.9 3.5 scans 88% 83 m/z 0.12% 1.33% 2559 0.5 891 836092 46815596 46815596 0-0 19: 83 129 255 55 394 69 484 81 159 119 75 133 107 105 145 93 355 351 95 0.993 32.98 3.1 95 94 98 97 665 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1242 3278.6 3.3 scans 83% 57 m/z 0.055% 1.03% 2570 0.6 788 1847664 36249195 34759048 1-3 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 84 141 155 98 112 125 82 0.995 33.10 3.2 89 87 98 93 515 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN WTF2-N1034 b-Sitosterol 33.4967 3322.9 3.5 scans 72% 129 m/z 0.26% 0.619% 2605 0.7 626 394895 0.866% 21670177 21223014 30268394 1-2 19: 129 357 396 486 381 107 119 75 95 358 397 57 121 145 105 356 81 55 159 0.990 32.88 73.6 84 96 98 99 486 88.1 1.978 0.620 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5893 3333.9 >4 scans 44% 505 m/z 0.54% 0.231% 2614 1.0 379 189054 1.00% 8089934 8062029 34951956 1-0 18: 505 491 271 361 169 506 103 109 492 223 289 127 201 507 493 272 243 273 0.980 33.63 -4.2 98 97 96 99 505 102.0 7.232 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6082 3336.1 3.8 scans 15% 386 m/z (505) 2.7% 0.0804% 2616 0.9 205 37122 0.144% 2811878 2669737 5033082 4-1 3: 386 296 387 0.863 33.58 2.8 83 86 74 92 505 8.7 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7113 3348.4 3.9 scans 39% 505 m/z (204) 0.80% 0.210% 2625 1.1 354 127745 1.23% 7344219 7344219 42990906 0-0 19: 505 57 271 491 71 506 109 169 56 449 85 223 492 83 127 507 289 272 201 0.974 33.69 2.2 93 95 92 98 505 81.0 5.237 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4700 3438.5 4.4 scans 79% 271 m/z 0.14% 1.44% 2698 0.7 832 733083 3.35% 50489018 47937226 117089052 2-0 20: 271 505 331 73 109 361 241 169 223 506 475 127 103 217 201 272 199 332 289 243 0.998 34.52 -5.7 100 99 99 100 505 187.4 5.071 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5952 3453.3 3.8 scans 10% 596 m/z (73) 0.42% 0.0898% 2709 0.8 211 245535 3139650 2956156 10-1 10: 596 597 598 316 599 302 318 356 600 581 0.759 34.47 14.6 94 96 72 99 596 121.4 33.038 0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN EXBLK5S-N1006 Contamination 6.3614 1047.7 2.0 scans 79% 207 m/z 0.54% 0.0323% 26 1.3 189 187775 1214203 1152639 0-5 14: 207 73 295 208 209 296 191 297 279 193 189 177 210 192 0.997 6.63 -15.6 97 96 88 97 295 58.5 9.548 -0.264 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1192 Contamination 7.9576 1142.3 2.3 scans 97% 147 m/z 0.068% 0.470% 178 0.8 671 1488237 17669626 17542364 3-0 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 103 75 100 149 131 134 236 0.996 7.99 -1.9 99 98 97 99 235 138.4 4.254 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1026 Cadaverine NC 8.1196 1151.9 2.4 scans 84% 174 m/z 0.69% 0.0257% 193 1.1 154 146932 968358 910422 1-2 19: 174 73 175 216 142 86 160 59 176 100 130 217 218 131 143 116 87 158 101 0.988 7.74 22.7 96 95 93 99 216 37.8 6.038 0.384 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1188 Contamination 8.2985 1162.5 2.3 scans 70% 281 m/z 2.7% 0.0102% 210 1.1 100 37592 384004 363339 1-1 13: 281 147 369 282 283 370 265 207 249 371 148 191 149 0.957 8.41 -6.9 96 95 75 97 369 29.1 8.568 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1186 Phosphate 8.4858 1173.6 2.2 scans 94% 241 m/z 0.19% 0.0785% 228 1.2 284 521814 2952792 2860741 1-1 19: 241 242 133 211 163 73 243 256 195 135 98 59 89 137 119 134 164 181 212 0.999 8.56 -4.4 100 99 99 100 299 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1180 Benzoic acid 9.6621 1242.8 2.5 scans 54% 179 m/z 5.3% 0.00394% 340 1.2 58 19162 0.00425% 148247 136239 159744 1-3 7: 179 105 135 77 180 194 51 0.986 9.76 -5.7 94 94 86 94 194 9.1 2.429 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN VEN77_S6-N1002 Glycerol 10.0283 1264.2 4.8 scans 86% 299 m/z 0.015% 2.36% 375 0.4 1082 6691062 88858190 88858190 0-0 20: 299 73 300 314 301 133 207 283 191 315 211 193 74 75 59 131 135 316 302 119 0.932 10.09 -3.8 100 99 97 99 299 637.5 34.902 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LACTIC~1-N1034 Glycerol 10.0336 1264.5 2.2 scans 10% 147 m/z (299) 0.16% 0.196% 375 0.8 385 615411 7379753 6703472 4-0 20: 147 205 103 117 218 206 148 204 149 129 177 101 219 89 104 203 118 116 217 175 0.689 10.11 -4.5 88 94 58 93 293 29.6 0.590 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6596 1301.2 2.8 scans 52% 199 m/z (69 175) 1.0% 0.0458% 435 1.0 184 98674 1724279 1609559 5-1 17: 199 75 117 145 132 129 200 131 67 81 118 76 61 72 82 201 110 0.940 10.73 -4.4 87 89 82 96 209 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1168 Glyceric acid 10.9385 1318.0 3.6 scans 37% TIC 9.2% 0.00211% 461 0.9 53 11048 0.0418% 79434 79434 1571131 0-0 0.762 11.05 -6.9 80 80 70 86 292 17.6 11.102 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9995 1321.6 2.6 scans 88% 184 m/z 0.94% 0.0414% 467 1.0 192 108515 0.0427% 1556848 1501575 1604959 2-1 20: 184 134 285 73 174 77 86 100 59 185 227 286 172 135 186 130 175 110 69 178 0.999 11.06 -3.9 99 97 94 99 285 55.7 8.414 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3730 1344.1 2.9 scans 21% 57 m/z 0.38% 0.0790% 502 1.2 224 264272 0.0901% 2971965 2548463 3386576 4-0 18: 57 97 115 145 127 129 69 111 59 109 128 72 71 98 87 201 114 113 0.997 11.45 -4.4 94 94 89 94 145 67.6 9.085 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4183 1346.9 3.5 scans 96% 84 m/z 0.015% 1.88% 507 0.4 1068 6450327 70824507 70215294 1-0 20: 84 133 162 161 119 92 118 130 82 85 65 51 78 134 117 63 120 55 77 91 0.995 10.96 27.9 96 97 96 98 161 284.9 7.124 0.462 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1146 Malic acid 13.4490 1472.3 2.5 scans 83% 73 m/z 0.62% 0.0485% 700 1.0 207 164182 1825854 1781924 2-0 19: 73 147 233 245 190 133 189 148 191 335 175 74 234 101 149 55 265 171 307 0.970 13.62 -10.5 96 95 92 95 350 0.0 0.000 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5570 1544.3 2.7 scans 56% 73 m/z 2.7% 0.0119% 805 0.9 100 37006 0.0130% 447605 438295 488629 1-0 17: 73 292 147 220 205 293 217 103 294 148 74 149 102 133 130 159 131 0.939 14.62 -4.3 87 87 81 89 409 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6590 1551.1 2.8 scans 91% TIC 0.26% 0.0768% 815 1.0 252 394026 0.180% 2889177 2699335 6765635 4-0 0.998 14.16 32.8 91 92 90 97 250 48.5 3.712 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1044 Dodecanol 14.7127 1554.6 2.7 scans 92% TIC 0.39% 0.0645% 820 0.9 227 261594 0.200% 2427440 2401295 7517372 0-1 1.000 14.24 31.2 97 98 98 99 243 126.1 30.801 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1752 1654.0 3.0 scans 82% 290 m/z (156) 0.33% 0.0739% 959 1.9 219 308798 2778478 2653840 1-1 9: 290 291 292 392 144 293 115 393 172 0.970 16.28 -7.1 96 97 95 100 392 31.4 2.059 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5319 1678.8 2.7 scans 94% 55 m/z 0.27% 0.175% 993 1.0 353 370613 0.185% 6587491 5493881 6953569 9-6 20: 55 73 83 69 56 97 70 57 111 84 82 127 113 98 68 71 67 96 85 140 0.999 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1010 Glycerol-P 17.4610 1745.5 2.6 scans 97% 357 m/z 0.047% 1.27% 1081 0.8 1031 2150797 47849766 46948917 1-1 20: 357 299 73 147 358 315 300 445 370 211 101 359 103 133 129 301 256 387 218 131 1.000 16.97 36.0 96 99 99 99 445 163.7 2.522 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5378 1751.2 2.6 scans 49% 217 m/z 1.8% 0.0133% 1088 1.1 106 54628 0.0768% 500890 500890 2886671 0-0 9: 217 218 219 450 232 191 305 257 451 0.939 17.63 -6.8 81 80 71 83 450 15.6 2.174 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4164 1816.0 4.0 scans 95% TIC 0.028% 3.04% 1172 0.6 1285 3630674 114450098 108820831 1-1 0.981 17.91 37.8 96 99 98 100 327 123.7 0.928 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1012 Phytol 18.5469 1825.9 3.1 scans 96% 68 m/z 0.093% 1.00% 1184 0.6 840 1092209 1.12% 37623735 36155606 42097284 1-1 20: 68 95 82 57 123 69 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 37.8 95 98 99 99 278 49.1 0.342 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1016 Hexadecene 18.6111 1830.8 2.6 scans 88% 70 m/z 0.37% 0.131% 1190 1.3 326 274734 0.898% 4927778 4718962 33753001 0-1 20: 70 69 71 55 57 83 111 56 125 126 97 84 280 85 140 67 112 98 68 82 0.995 18.10 38.4 82 81 91 97 280 47.0 2.071 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6384 1832.9 2.6 scans 52% 285 m/z 1.7% 0.0247% 1193 0.9 141 57228 0.365% 930157 837108 13719204 12-1 13: 285 117 132 286 145 118 287 300 116 201 241 257 61 0.984 18.73 -6.8 94 94 81 94 300 15.1 1.159 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1076 Pregnane?? 18.7563 1841.9 2.7 scans 73% 345 m/z 1.2% 0.0330% 1204 1.0 168 81440 1243880 1241164 0-1 17: 345 73 346 147 255 347 256 334 372 257 239 108 419 348 80 333 215 0.919 18.86 -7.8 91 90 79 90 537 9.2 0.298 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1002 Phytol 18.8min 18.8415 1848.4 2.6 scans 92% 81 m/z 0.51% 0.165% 1212 1.1 365 198009 6238653 5833040 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 97 96 124 109 53 111 110 278 0.997 18.84 0.1 96 95 99 96 278 42.3 1.340 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1072 Fructose 18.9309 1855.2 2.7 scans 84% 73 m/z 0.48% 0.0774% 1221 1.0 249 209714 2911282 2720617 8-0 20: 73 103 307 217 147 308 277 218 133 309 104 205 74 189 364 89 117 172 219 148 0.993 19.03 -7.8 95 94 94 94 364 24.2 0.938 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0888 1867.3 2.8 scans 94% 81 m/z 0.25% 0.352% 1236 0.8 517 396036 13239055 12952641 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 97 71 96 109 124 278 111 53 56 0.999 18.58 38.9 93 96 98 99 278 69.9 1.827 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1064 Mannose 19.2529 1879.8 2.6 scans 87% 73 m/z 0.36% 0.114% 1251 1.1 307 281243 4312897 4247082 3-0 20: 73 319 205 160 147 320 217 103 206 321 74 117 133 157 229 189 161 148 207 89 0.995 19.45 -15.4 97 96 96 96 319 109.9 12.811 -0.202 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BRA4_R~2-N1004 Galactose 19.5002 1898.6 2.8 scans 59% 319 m/z 1.6% 0.0246% 1275 0.9 143 62057 927151 927151 0-0 14: 319 160 320 103 217 321 89 229 277 161 218 104 157 233 0.858 19.36 10.5 91 91 68 92 364 0.0 0.000 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9053 1931.1 2.8 scans 88% TIC 0.26% 0.137% 1313 1.4 296 389063 0.154% 5186699 4528229 5788377 6-1 0.998 19.91 -0.6 96 94 95 99 361 13.8 0.219 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7807 2001.6 2.9 scans 91% 73 m/z 0.24% 0.425% 1397 0.9 565 418478 0.440% 15984851 15217959 16538219 2-1 20: 73 75 79 67 93 95 129 91 80 55 108 117 81 307 94 121 77 135 107 145 0.999 20.27 41.4 83 82 94 98 322 37.9 0.449 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1038 C16:0 21.1511 2032.7 3.3 scans 98% 117 m/z 0.024% 2.86% 1432 0.4 1356 4131685 107792918 107779021 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 328 118 57 69 201 74 315 116 269 1.000 20.62 44.4 94 99 99 100 328 155.8 1.321 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6519 2074.8 2.8 scans 78% 305 m/z 0.51% 0.125% 1479 1.0 314 198756 4733247 4722613 2-0 18: 305 217 147 318 191 306 319 265 204 218 307 320 192 432 129 133 219 433 0.997 21.75 -8.1 98 97 95 97 507 20.6 0.432 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9529 2100.1 3.1 scans 72% TIC 1.1% 0.0539% 1508 0.9 203 85719 0.107% 2027066 1772360 4021794 0-1 0.981 22.33 -32.9 95 97 96 98 342 24.7 1.481 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1717 2119.2 3.0 scans 10% 396 m/z 11% 0.00256% 1529 1.1 43 9323 0.00346% 96531 86792 130051 1-0 5: 396 219 397 381 220 0.759 22.19 -1.3 82 85 47 86 396 23.8 30.516 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3874 2138.0 2.9 scans 22% 204 m/z 4.2% 0.00470% 1549 1.1 61 24366 0.0455% 176713 156163 1710202 4-2 4: 204 249 205 206 0.836 22.71 -28.5 84 89 77 88 518 0.0 0.000 -0.327 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1040 Phytol 22.6073 2157.2 3.1 scans 85% 143 m/z 0.11% 0.202% 1570 1.1 379 915445 0.210% 7617770 6802012 7893241 6-3 18: 143 73 75 144 123 81 57 55 145 124 95 103 97 82 83 67 96 68 0.991 22.08 45.7 81 82 90 96 181 5.8 0.000 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1755 2207.2 5.9 scans 93% 75 m/z 0.038% 6.36% 1624 0.2 1519 2666589 6.83% 239336433 218848647 256718261 0-9 20: 75 79 73 95 93 108 67 81 129 80 91 55 117 107 94 121 135 77 145 122 0.993 23.12 5.4 98 97 99 97 350 109.9 0.524 0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1036 C18:0 23.4038 2228.0 2.7 scans 92% 341 m/z 0.086% 0.683% 1646 0.7 746 1185330 25691140 24762638 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 201 74 116 297 0.999 22.89 46.2 93 99 99 99 356 96.3 1.668 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7090 2255.9 2.8 scans 43% 163 m/z (337) 0.41% 0.0656% 1675 1.1 218 247010 2469060 2160414 2-10 9: 163 331 164 165 161 332 88 178 90 0.925 23.72 -1.0 94 96 92 97 331 47.2 4.680 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1393 2295.3 3.4 scans 32% 204 m/z 0.68% 0.0370% 1716 0.8 155 149116 0.0477% 1392679 1209488 1792893 0-9 17: 204 205 217 337 147 103 206 338 219 218 191 148 339 203 189 243 220 0.661 24.18 -3.8 90 91 70 92 581 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1393 2295.3 3.4 scans 38% 204 m/z (75 333) 0.69% 0.0503% 1716 0.8 170 147728 0.0648% 1892384 1643463 2435629 0-9 17: 204 205 217 337 147 103 206 338 219 218 191 148 339 203 189 243 220 0.916 24.01 11.8 90 94 87 95 490 0.0 0.000 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1018 myo-Inositol 25.2073 2396.6 3.8 scans 58% TIC 1.1% 0.0541% 1817 1.4 200 89452 0.201% 2036429 2036429 7554959 0-0 0.948 25.21 -0.2 97 97 93 98 470 13.5 0.454 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6229 2437.6 3.3 scans 50% 91 m/z (73) 0.67% 0.0407% 1857 1.2 155 152278 0.0509% 1530729 1403941 1913171 4-3 16: 91 117 194 207 92 208 193 115 65 312 104 51 178 118 128 179 0.960 25.61 1.3 95 97 94 97 312 18.1 1.358 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2974 2504.6 3.1 scans 35% 204 m/z (161) 0.50% 0.0868% 1921 1.0 211 202548 0.261% 3265271 2295331 9810171 21-1 4: 204 205 219 206 0.940 25.86 43.9 82 87 91 99 361 12.0 0.326 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5552 2531.2 3.6 scans 56% TIC 0.40% 0.128% 1945 1.9 315 253784 0.348% 4838642 4709689 13080228 0-1 0.945 26.57 -1.9 98 98 91 99 512 101.8 10.450 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9276 2569.7 2.7 scans 83% 371 m/z 0.046% 0.827% 1981 0.7 804 2207309 31109157 29045464 11-0 17: 371 372 147 129 57 205 203 239 373 459 55 71 116 145 101 313 117 0.999 26.39 55.1 90 97 97 100 459 102.0 1.613 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN LQC1-N1008 Sucrose 27.4148 2620.7 2.9 scans 56% 361 m/z 0.19% 0.212% 2027 1.0 405 514479 7982641 7496920 1-9 10: 361 362 437 363 271 451 438 364 439 452 0.959 27.59 -18.8 99 98 94 99 437 74.5 3.381 -0.176 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9125 2673.8 2.8 scans 87% 73 m/z 0.16% 0.598% 2074 0.9 704 629880 1.60% 22488968 22475397 60138978 1-0 20: 73 161 109 205 145 57 160 287 214 147 286 75 201 83 127 517 186 172 129 312 0.998 27.91 0.4 98 96 99 100 662 32.2 0.209 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0367 2687.0 2.9 scans 65% 161 m/z 0.56% 0.136% 2086 1.2 352 182955 1.34% 5115972 5115972 50366394 0-0 17: 161 109 57 287 205 145 160 517 201 83 301 182 245 127 172 574 162 0.992 28.03 0.3 94 92 95 99 574 31.4 0.794 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.3955 2726.7 2.9 scans 33% 399 m/z 0.95% 0.0455% 2120 1.0 183 107507 1710556 1654434 1-1 4: 399 400 401 402 0.844 28.19 22.8 93 94 84 95 487 25.0 1.850 0.202 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.6838 2759.1 2.9 scans 89% TIC 0.17% 0.695% 2148 1.1 724 582511 1.13% 26137325 25120365 42473153 1-0 0.998 28.67 1.8 92 90 91 94 457 119.4 2.717 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1034 Nonacosane 29.5066 2851.7 3.0 scans 18% 57 m/z 2.4% 0.00982% 2226 0.9 103 41166 369420 346861 2-0 9: 57 71 85 365 99 56 70 113 393 0.932 29.50 0.2 82 82 88 87 408 2.9 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8286 2887.9 >4 scans 39% TIC 0.84% 0.0142% 2256 1.6 183 121491 0.121% 537409 537409 4548010 0-0 0.971 29.83 0.2 87 86 96 94 408 10.9 0.350 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1042 C20:0-2-glycerol 30.3978 2954.8 3.2 scans 88% TIC 0.15% 0.896% 2311 1.1 768 645950 1.35% 33685892 32364534 50742262 1-1 0.997 30.38 1.9 87 80 73 100 485 119.5 2.424 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4241 2958.0 3.3 scans 33% 193 m/z (189) 0.84% 0.100% 2313 0.9 246 121998 3777563 3503462 2-1 12: 193 105 119 163 120 194 176 515 247 516 529 517 0.876 30.36 7.9 81 85 81 86 529 11.5 0.218 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4683 2963.2 3.2 scans 48% 57 m/z 0.38% 0.106% 2317 1.4 275 265471 0.231% 4009233 3538605 8682565 0-3 15: 57 71 56 85 393 55 99 392 83 70 394 113 141 58 84 0.982 30.46 0.6 97 97 97 98 393 65.2 5.613 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2164 3052.1 3.3 scans 80% 57 m/z 0.10% 0.475% 2388 0.8 573 998099 17857922 17455342 1-0 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 155 394 421 98 0.993 31.21 0.6 99 97 99 100 393 88.6 2.390 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1048 Hentriacontane 31.5257 3088.8 3.0 scans 77% 57 m/z 0.081% 0.557% 2418 0.6 638 1264238 20962530 20404653 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 72 0.990 31.53 -0.7 99 99 99 100 436 37.4 0.344 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6815 3107.3 4.1 scans 16% 204 m/z 1.1% 0.0138% 2433 1.2 129 88859 0.0927% 520487 465152 3484302 0-2 15: 204 597 205 337 217 73 598 206 361 103 191 129 338 599 147 0.879 31.68 0.7 90 92 82 91 597 17.7 1.890 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8246 3124.3 3.1 scans 84% 502 m/z 0.045% 0.785% 2446 0.7 753 2251262 29542310 28493921 1-1 17: 502 237 503 73 236 504 238 57 277 221 223 239 208 71 74 505 193 1.000 31.79 3.9 100 99 99 100 502 369.8 24.154 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9466 3138.8 3.0 scans 63% 329 m/z 0.54% 0.243% 2458 0.9 422 186907 9140535 8261939 1-4 14: 329 129 368 458 353 330 119 107 121 328 145 369 105 553 0.984 31.87 9.4 97 96 95 98 458 62.9 2.218 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1160 3158.9 3.0 scans 61% 57 m/z 0.10% 0.419% 2474 0.9 566 961800 15755785 14610396 2-1 20: 57 71 85 56 421 55 83 99 69 97 70 420 422 113 127 111 84 141 58 393 0.985 32.11 0.7 91 87 96 99 421 131.7 5.410 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1004 Campesterol 32.7873 3238.6 3.5 scans 43% 343 m/z 0.35% 0.375% 2538 0.7 490 288891 14111314 13057648 1-1 15: 343 129 382 472 367 344 121 145 383 107 119 342 105 159 255 0.940 32.21 68.5 83 95 83 97 472 76.8 2.461 0.577 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1046 Stigmasterol 32.9883 3262.5 3.1 scans 79% 83 m/z (491) 0.15% 0.939% 2557 0.6 794 646830 35302392 33878890 1-0 19: 83 129 255 55 484 394 69 81 75 159 133 119 105 145 107 355 351 93 95 0.997 32.98 0.7 94 94 98 97 665 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1030 3276.1 3.1 scans 73% 57 m/z 0.076% 0.621% 2568 0.7 676 1334232 23355544 22539454 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 183 0.990 33.10 0.7 83 79 95 93 515 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN WTF2-N1034 b-Sitosterol 33.4744 3320.2 3.4 scans 55% 357 m/z 0.44% 0.349% 2603 0.8 474 231150 13147845 12751409 1-3 8: 357 396 486 381 358 356 397 487 0.986 32.88 70.9 84 95 97 99 486 68.1 2.065 0.597 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6354 3339.4 4.9 scans 50% 505 m/z (386) 0.27% 0.511% 2618 1.0 553 370204 2.02% 19238930 19238930 75925459 0-0 20: 505 271 73 491 361 169 109 506 223 103 492 289 201 272 362 507 127 243 147 493 0.992 33.63 1.3 96 96 95 100 505 148.7 7.232 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6996 3347.0 4.2 scans 45% 505 m/z 0.47% 0.240% 2624 1.0 454 215661 1.40% 9052336 9052336 52621605 0-0 20: 505 271 491 506 57 169 109 492 223 507 127 289 272 71 449 362 83 201 56 85 0.972 33.69 0.8 97 96 94 99 505 114.5 6.360 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8869 3369.2 3.2 scans 2.9% 441 m/z 2.9% 0.00534% 2642 1.1 60 35240 200931 200931 0-1 5: 441 442 443 646 647 0.836 33.80 10.8 87 87 52 93 646 12.8 4.552 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4656 3438.0 4.8 scans 83% 271 m/z 0.088% 2.30% 2697 0.7 1058 1162256 5.09% 86659672 83732259 191317123 1-0 20: 271 331 505 73 361 109 241 223 169 506 127 475 103 272 217 201 332 289 199 243 1.000 34.52 -6.2 100 99 99 100 505 237.4 5.035 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5350 3446.2 4.4 scans 64% 271 m/z (507) 0.080% 1.61% 2704 0.7 963 1279145 4.59% 60726574 60726574 172523692 0-0 20: 271 331 505 73 109 361 223 241 169 475 506 103 127 272 217 289 201 332 199 243 0.979 34.59 -6.4 87 88 84 91 596 42.5 0.195 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5834 3452.0 3.9 scans 7.5% 596 m/z (271) 0.51% 0.0661% 2708 0.8 190 200153 2486933 2442832 1-1 7: 596 597 598 316 599 356 595 0.690 34.47 13.3 93 96 70 99 596 110.3 33.664 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN EXBLK5S-N1006 Contamination 6.3669 1048.0 2.2 scans 81% 207 m/z 0.58% 0.0386% 27 1.2 179 182163 0.0403% 1293282 1231058 1350231 0-11 17: 207 73 295 208 209 296 191 297 279 74 193 189 133 177 192 210 247 0.996 6.63 -15.3 98 97 89 97 295 55.9 9.789 -0.258 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1192 Contamination 7.9504 1141.9 2.3 scans 97% 147 m/z 0.088% 0.424% 177 1.0 580 1204155 14224111 13973658 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 100 75 149 131 134 221 0.996 7.99 -2.3 98 98 97 98 235 119.5 4.245 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1026 Cadaverine NC 8.1230 1152.1 2.4 scans 88% 174 m/z 0.43% 0.0529% 194 1.1 194 244629 1775279 1628577 1-1 20: 174 73 175 216 142 86 176 59 160 100 130 217 87 131 143 74 231 158 218 172 0.996 7.74 22.9 95 94 92 99 216 46.3 5.725 0.387 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1188 Contamination 8.2998 1162.6 2.3 scans 69% 281 m/z 2.8% 0.0112% 210 1.1 94 38091 375773 373494 1-1 13: 281 147 369 282 283 370 265 207 371 148 249 149 191 0.916 8.41 -6.8 96 96 78 97 369 28.1 8.928 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1186 Phosphate 8.4807 1173.3 2.4 scans 95% 241 m/z 0.20% 0.102% 228 1.3 273 512210 3443662 3354671 1-0 19: 241 242 133 211 256 163 73 243 135 195 98 59 89 119 137 134 121 181 212 0.999 8.56 -4.7 100 99 99 100 299 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1180 Benzoic acid 9.6592 1242.6 2.6 scans 59% 179 m/z 5.0% 0.00582% 340 1.2 61 21336 0.00644% 195263 183184 215769 1-3 7: 179 105 135 77 180 194 51 0.988 9.76 -5.9 96 97 90 97 194 9.9 2.645 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN VEN77_S6-N1002 Glycerol 10.0211 1263.8 4.8 scans 90% 299 m/z 0.015% 2.80% 374 0.4 1055 7062159 93862327 91807611 1-1 20: 299 300 314 301 283 207 315 211 193 191 316 135 225 284 115 134 208 189 137 181 0.949 10.09 -4.2 100 99 98 99 299 628.4 35.630 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LACTIC~1-N1034 Glycerol 10.0243 1264.0 4.7 scans 31% 73 m/z (299) 0.049% 0.969% 374 0.4 628 2152983 32496329 32269506 0-1 20: 73 133 207 191 74 75 131 59 115 119 134 189 72 105 221 179 61 163 132 87 0.892 10.11 -5.0 86 86 86 92 293 29.5 0.221 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6556 1300.9 2.8 scans 91% 199 m/z 1.1% 0.0945% 434 1.1 245 96200 3169501 3021836 1-1 18: 199 75 117 69 55 85 57 83 71 111 84 145 70 132 200 129 67 56 0.987 10.73 -4.7 81 72 58 98 209 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9965 1321.5 2.5 scans 67% 184 m/z 4.2% 0.0124% 467 1.0 94 25188 0.0126% 417280 390859 422157 4-1 15: 184 285 134 174 86 100 77 185 286 172 59 135 227 110 186 0.991 11.06 -4.0 90 90 79 92 285 26.9 8.203 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3711 1344.0 2.9 scans 20% 57 m/z 0.36% 0.0783% 502 1.1 226 290836 0.100% 2625661 2625661 3350450 0-0 19: 57 97 115 145 127 129 69 111 59 109 128 71 72 58 98 87 201 114 113 0.996 11.45 -4.5 95 95 89 95 145 68.3 9.111 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4111 1346.4 3.8 scans 96% 84 m/z (57) 0.019% 1.91% 506 0.5 951 5522742 64284953 62795776 1-2 20: 84 133 162 161 119 92 85 118 51 82 65 130 78 134 117 63 91 55 120 52 0.999 10.96 27.4 95 97 97 99 161 252.4 7.051 0.455 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1146 Malic acid 13.4471 1472.2 2.7 scans 92% TIC 0.30% 0.124% 700 0.9 286 350262 0.166% 4170294 4005446 5561747 1-2 0.989 13.62 -10.6 98 97 95 97 350 0.0 0.000 -0.170 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2583 1524.5 2.6 scans 61% 263 m/z (71) 1.0% 0.0242% 777 1.0 126 105285 812444 811081 1-0 10: 263 264 278 265 279 207 247 128 335 119 0.894 14.33 -4.5 84 84 75 92 278 28.7 5.160 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6571 1550.9 2.7 scans 87% 174 m/z 0.35% 0.0698% 815 1.1 211 303427 0.0775% 2339750 2339750 2596599 0-0 20: 174 73 175 86 176 250 100 59 91 130 251 74 177 162 65 87 117 121 252 131 0.999 14.16 32.6 91 92 91 97 250 40.4 3.675 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1044 Dodecanol 14.7108 1554.5 2.7 scans 92% TIC 0.39% 0.0773% 820 0.9 225 272734 0.220% 2590627 2549801 7370990 0-1 0.998 14.24 31.1 97 98 98 99 243 123.5 30.238 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1632 1584.5 3.1 scans 64% TIC 2.3% 0.0109% 863 0.7 102 46165 0.0467% 365712 365712 1564660 0-0 0.977 14.37 52.3 80 88 77 89 342 50.8 24.916 0.789 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1744 1654.0 2.9 scans 83% 290 m/z (156) 0.34% 0.0852% 959 1.9 211 307474 2856649 2692140 1-1 11: 290 291 292 392 144 393 115 200 172 174 394 0.975 16.28 -7.1 96 97 95 100 392 29.6 1.964 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 2.7 scans 93% 55 m/z 0.27% 0.196% 993 1.2 341 383075 0.215% 6571532 5727226 7203468 9-3 19: 55 73 83 69 56 97 70 57 84 111 82 127 113 68 98 140 67 96 112 0.999 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1010 Glycerol-P 17.4602 1745.5 2.6 scans 97% 357 m/z 0.051% 1.34% 1081 0.8 971 2063429 44953682 44294631 0-1 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 301 133 387 129 256 218 328 1.000 16.97 36.0 96 99 99 99 445 156.6 2.604 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5370 1751.1 2.6 scans 54% 217 m/z 1.5% 0.0191% 1088 1.1 115 68464 0.0812% 639990 639990 2720565 0-0 8: 217 218 450 219 232 305 451 191 0.969 17.63 -6.9 85 84 76 86 450 17.0 2.175 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4166 1816.0 4.0 scans 94% TIC 0.028% 3.61% 1172 0.5 1261 3777800 121231682 114744246 1-2 0.979 17.91 37.8 96 99 98 99 327 120.4 0.913 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1012 Phytol 18.5450 1825.8 3.0 scans 96% 68 m/z 0.096% 1.10% 1184 0.7 816 1114002 1.23% 36879579 35597044 41210535 2-1 20: 68 95 82 123 57 69 55 81 67 83 97 71 109 96 124 111 79 56 70 110 1.000 18.04 37.7 94 98 99 99 278 48.2 0.349 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1016 Hexadecene 18.6113 1830.8 2.7 scans 86% 70 m/z 0.39% 0.148% 1190 1.0 311 273709 0.759% 4972972 4753347 25429916 0-1 18: 70 69 55 71 57 83 111 56 125 126 97 84 280 85 140 67 112 98 0.986 18.10 38.4 85 86 94 97 280 46.9 2.282 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.6 scans 56% 285 m/z 1.6% 0.0307% 1193 0.9 148 65922 1030193 964481 2-1 16: 285 117 132 129 286 145 118 131 300 287 201 116 241 61 130 257 0.994 18.73 -6.9 92 91 80 94 300 15.0 1.026 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8407 1848.3 2.6 scans 92% 81 m/z 0.53% 0.180% 1212 1.1 352 199954 6062694 5791502 1-2 20: 81 82 95 68 123 57 55 69 83 67 79 71 96 124 97 109 278 53 111 110 0.993 18.58 19.9 95 93 97 99 278 40.8 1.339 0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1072 Fructose 18.9290 1855.1 2.8 scans 88% 73 m/z 0.34% 0.138% 1221 1.1 296 312238 0.143% 4643479 4497932 4791144 1-1 20: 73 103 307 217 147 308 277 218 133 309 74 104 205 189 117 364 89 219 148 191 0.994 19.03 -7.9 96 95 96 96 364 28.4 0.921 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1070 Fructose 19.0490 1864.2 2.6 scans 77% 73 m/z 0.39% 0.111% 1232 1.1 274 271917 0.179% 3721088 3370352 5997306 2-5 20: 73 103 307 217 147 308 277 218 309 205 74 364 89 104 262 133 117 189 219 148 0.996 19.19 -11.1 93 92 93 92 554 12.9 0.223 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1068 Galactopyranose 19.2026 1875.9 >3 scans 45% TIC 2.4% 0.00463% 1247 1.1 89 43149 0.328% 155247 155247 10989476 0-0 0.985 19.32 -8.6 82 81 84 84 435 0.0 0.000 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BRA4_R~2-N1004 Galactose 19.2510 1879.6 2.9 scans 81% TIC 0.56% 0.0789% 1251 1.1 241 190442 0.590% 2643678 2633124 19767655 0-1 0.992 19.36 -8.5 95 93 93 96 364 15.0 0.389 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9055 1931.1 2.8 scans 80% 204 m/z 0.29% 0.120% 1313 1.2 271 364160 0.132% 4049498 3571991 4422594 2-2 20: 204 73 159 217 205 147 206 129 218 103 189 74 133 191 219 160 243 148 131 305 0.997 19.91 -0.6 96 93 95 99 361 11.2 0.170 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2664 1960.2 2.7 scans 51% 204 m/z 1.3% 0.0230% 1348 1.2 125 81594 772551 746956 1-2 7: 204 191 205 192 206 193 189 0.983 20.41 -11.8 90 90 88 90 217 28.8 5.308 -0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7809 2001.6 3.1 scans 94% TIC 0.25% 0.531% 1397 0.9 549 426354 0.539% 17821042 17180903 18058926 1-6 0.999 20.27 41.4 82 82 94 98 322 37.0 0.454 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1038 C16:0 21.1502 2032.6 3.4 scans 96% 313 m/z 0.026% 3.06% 1432 0.4 1267 4083372 102597974 96524201 1-1 20: 313 117 73 132 75 129 145 314 55 131 328 133 118 57 69 201 315 269 116 74 1.000 20.62 44.3 94 99 99 100 328 147.9 1.365 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6500 2074.6 2.8 scans 72% 305 m/z (79) 0.95% 0.0779% 1479 1.0 223 112569 2611501 2554390 3-1 19: 305 217 318 147 191 306 265 319 218 204 307 432 433 320 367 192 148 291 219 0.985 21.75 -8.3 94 95 93 95 507 13.8 0.384 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9510 2099.9 3.1 scans 73% TIC 1.1% 0.0663% 1508 0.7 202 93496 0.131% 2222156 2081660 4389090 0-1 0.976 22.33 -33.1 95 97 95 98 342 24.9 1.525 -0.379 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1688 2118.9 2.9 scans 10% 396 m/z 11% 0.00284% 1528 1.5 41 9357 0.00362% 95371 95371 121286 0-0 6: 396 219 397 381 398 220 0.693 22.19 -1.6 82 84 48 85 396 22.9 31.631 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3855 2137.9 3.0 scans 26% 204 m/z (327) 4.2% 0.00727% 1549 0.9 62 25265 0.0597% 243589 220928 2000219 3-7 4: 204 249 205 206 0.844 22.71 -28.6 82 89 75 89 518 0.0 0.000 -0.328 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1040 Phytol 22.6075 2157.3 3.1 scans 91% TIC 0.070% 0.410% 1570 1.2 473 1520584 0.465% 13743320 11817195 15579593 6-3 0.995 22.08 45.8 80 82 90 96 181 0.0 0.000 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1715 2206.8 5.2 scans 94% 75 m/z 0.036% 6.35% 1624 0.3 1507 2896324 7.23% 212843389 209080234 242237536 0-2 20: 75 79 73 95 67 93 108 81 80 55 129 91 107 335 94 117 121 77 135 149 0.991 23.12 5.0 99 99 99 98 350 106.7 0.502 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1036 C18:0 23.4040 2228.1 2.7 scans 93% 341 m/z 0.082% 0.829% 1646 0.7 743 1299436 27808533 26789305 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 201 343 74 297 116 1.000 22.89 46.3 93 99 99 99 356 96.2 1.679 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7081 2255.9 2.7 scans 39% 163 m/z 0.44% 0.0618% 1675 1.0 197 242290 2071931 1907904 2-10 10: 163 331 164 165 161 332 88 178 90 60 0.852 23.72 -1.0 95 95 83 96 331 45.6 5.379 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1385 2295.2 3.2 scans 33% 204 m/z (117) 0.80% 0.0465% 1716 0.9 152 132978 0.0598% 1558201 1354718 2003569 1-9 18: 204 217 337 205 147 103 206 338 219 218 191 361 339 203 148 243 291 220 0.861 24.18 -3.9 89 92 84 92 581 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1018 myo-Inositol 25.2075 2396.6 3.7 scans 57% TIC 1.2% 0.0573% 1817 1.3 192 88390 0.258% 1922169 1922169 8644161 0-0 0.933 25.21 -0.2 97 96 91 98 470 12.6 0.431 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6200 2437.3 3.5 scans 48% 91 m/z 0.69% 0.0432% 1856 1.3 146 154975 1448328 1272376 3-4 16: 91 117 194 207 92 208 115 65 193 312 104 51 118 178 179 102 0.988 25.61 1.0 97 97 96 97 312 17.9 1.495 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2976 2504.6 2.9 scans 54% 204 m/z 0.60% 0.0744% 1921 1.1 201 177809 2493428 1853980 22-0 7: 204 217 205 219 206 218 305 0.916 25.86 43.9 81 81 87 99 361 10.5 0.272 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5533 2531.0 4.3 scans 60% TIC 0.41% 0.160% 1945 2.2 298 259033 0.377% 5384060 5384060 12631197 0-0 0.911 26.57 -2.1 98 98 91 99 512 94.5 10.019 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9299 2569.9 2.7 scans 92% 371 m/z 0.035% 1.17% 1981 0.7 898 2994891 39344851 38645032 1-0 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 85 1.000 26.39 55.3 90 97 97 100 459 116.1 1.676 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1014 Sucrose 27.4140 2620.6 2.9 scans 41% 361 m/z 0.32% 0.160% 2027 0.8 273 327007 5374677 3832977 17-8 11: 361 362 437 363 271 451 438 364 452 439 272 0.796 27.49 -8.1 98 98 84 98 437 56.9 4.329 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN LQC1-N1010 Sucrose 27.4140 2620.6 2.9 scans 51% 361 m/z (397) 0.32% 0.212% 2027 0.8 304 327150 7123707 5080307 17-8 11: 361 362 437 363 271 451 438 364 452 439 272 0.970 27.58 -17.6 97 98 94 98 437 56.8 3.486 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9074 2673.3 2.8 scans 84% 73 m/z 0.26% 0.406% 2074 1.0 531 402664 1.11% 13604484 13604484 37189995 0-0 20: 73 161 109 205 160 57 145 214 287 147 286 75 201 517 83 186 127 172 312 301 0.987 27.91 -0.1 99 97 98 99 662 24.3 0.209 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9790 2680.9 3.1 scans 70% 73 m/z 0.45% 0.206% 2081 0.9 401 234598 0.927% 6906230 6906230 31058672 0-0 20: 73 109 161 214 160 205 145 57 286 83 287 147 186 312 517 172 75 201 301 103 0.989 27.98 -0.3 99 98 98 99 662 18.5 0.213 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0327 2686.6 2.8 scans 61% 161 m/z 0.92% 0.112% 2086 0.9 273 115526 0.944% 3752924 3734119 31628248 0-1 17: 161 109 57 287 205 145 517 160 201 574 182 162 229 301 304 127 172 0.985 28.03 -0.1 96 95 95 98 574 23.6 0.747 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.3925 2726.4 2.8 scans 29% 399 m/z 0.96% 0.0449% 2120 1.0 171 110940 1506174 1358623 1-1 6: 399 400 487 401 488 402 0.819 28.19 22.5 93 94 80 94 487 25.5 2.242 0.199 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.6745 2758.1 3.4 scans 81% TIC 0.51% 0.262% 2147 1.2 422 209674 0.930% 8792160 8792160 31159185 0-0 0.996 28.67 0.8 92 90 91 94 457 68.2 2.613 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1034 Nonacosane 29.5078 2851.8 3.1 scans 61% 57 m/z 0.48% 0.0926% 2226 1.1 248 221893 3102975 2992078 2-1 18: 57 71 85 55 99 365 56 83 113 97 70 127 393 366 141 84 364 86 0.990 29.50 0.3 97 97 98 98 408 8.4 0.114 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8340 2888.5 3.6 scans 44% 57 m/z 0.19% 0.415% 2257 1.1 379 535305 13908836 8660744 8-7 18: 57 71 85 55 99 69 83 56 113 70 97 111 84 141 98 155 72 140 0.832 29.83 0.8 92 90 97 99 408 22.8 0.364 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1038 Hexacosanol 30.1770 2928.6 3.4 scans 2.2% 439 m/z 10% 0.00160% 2289 1.5 29 10265 0.00360% 53799 53799 120616 0-0 2: 439 440 0.573 30.17 0.5 85 96 36 96 439 24.0 68.219 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1042 C20:0-2-glycerol 30.3938 2954.4 3.0 scans 59% 189 m/z 0.44% 0.312% 2310 1.3 426 238417 0.355% 10468208 9123281 11894098 1-3 16: 189 129 369 204 145 117 485 188 131 370 435 385 486 190 191 295 0.855 30.38 1.5 82 74 80 99 485 69.7 2.673 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4254 2958.1 3.3 scans 48% 193 m/z (189) 0.57% 0.173% 2313 1.1 298 187461 5813129 5335552 2-2 14: 193 119 105 163 120 91 176 194 515 247 325 106 516 164 0.951 30.36 8.0 83 85 84 87 529 14.0 0.221 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4748 2964.0 3.2 scans 70% 57 m/z 0.15% 0.340% 2318 0.9 444 705698 0.421% 11424676 10391043 14105395 0-2 20: 57 71 85 56 393 55 99 69 83 97 70 392 394 113 127 111 141 84 365 155 0.986 30.46 1.4 98 96 99 99 393 107.0 5.805 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2324 3054.0 3.5 scans 90% 57 m/z 0.050% 1.28% 2390 0.6 825 2138975 1.41% 42975041 41642340 47241345 1-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 155 421 394 98 0.997 31.21 2.5 98 96 98 99 393 131.7 2.550 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1048 Hentriacontane 31.5470 3091.3 3.5 scans 90% 57 m/z 0.041% 1.54% 2420 0.5 886 2547328 51814193 50909472 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 125 0.999 31.53 1.8 100 99 100 99 436 53.4 0.364 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6838 3107.6 3.3 scans 18% 204 m/z 1.3% 0.0148% 2433 1.2 119 79476 0.0198% 496540 438802 663389 0-2 12: 204 205 337 597 217 73 206 103 598 191 129 338 0.881 31.68 1.0 88 89 80 90 597 16.9 2.032 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8416 3126.3 3.5 scans 89% 502 m/z 0.026% 1.87% 2448 0.5 1006 4092236 62767978 62381504 1-0 20: 502 237 503 73 236 238 504 57 277 221 223 208 55 239 74 71 505 69 193 75 0.998 31.79 5.9 100 98 98 100 502 478.4 22.701 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9552 3139.8 3.8 scans 61% 329 m/z 0.61% 0.315% 2458 1.0 395 173684 10580329 10094188 1-2 17: 329 129 368 458 353 330 95 119 107 328 121 105 145 369 91 159 93 0.974 31.87 10.4 92 89 89 98 458 58.6 2.207 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1236 3159.8 3.2 scans 67% 57 m/z 0.098% 0.571% 2475 0.8 568 1081439 0.718% 19142734 19142734 24056231 0-0 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 111 127 84 141 155 58 0.992 32.11 1.6 96 94 98 99 421 133.6 5.539 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1004 Campesterol 32.7907 3239.0 3.5 scans 52% 343 m/z 0.30% 0.525% 2538 0.8 516 354791 17619495 16751213 3-1 17: 343 129 382 472 367 121 344 107 145 95 383 119 105 342 473 91 159 0.972 32.21 68.9 82 93 81 95 472 83.0 2.585 0.581 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1046 Stigmasterol 32.9938 3263.2 3.3 scans 86% 83 m/z 0.13% 1.22% 2557 0.6 827 764347 41058814 39899904 1-1 20: 83 129 255 55 394 484 69 73 81 159 133 75 119 105 145 107 93 95 351 91 0.992 32.98 1.4 95 93 98 97 665 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1106 3277.0 3.5 scans 81% TIC 0.062% 1.05% 2568 0.7 735 1709171 2.25% 35418868 30342115 75385125 2-12 0.986 33.10 1.6 86 82 97 93 515 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN WTF2-N1034 b-Sitosterol 33.4830 3321.3 3.4 scans 71% 357 m/z 0.31% 0.573% 2604 0.7 563 344360 19210867 18289243 1-2 14: 357 129 396 486 381 358 107 397 119 145 121 356 105 255 0.990 32.88 72.0 85 96 98 99 486 80.4 2.038 0.606 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5767 3332.4 >4 scans 44% 505 m/z 0.64% 0.222% 2613 1.1 340 166342 0.904% 7461439 7307428 30288068 2-0 18: 505 271 491 361 506 109 169 492 103 223 507 201 289 272 127 362 243 493 0.977 33.63 -5.7 98 98 96 99 505 92.5 7.394 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5946 3334.5 3.7 scans 14% 386 m/z (505) 3.2% 0.0701% 2614 1.2 185 32650 0.135% 2349501 2342503 4523108 2-0 7: 386 296 387 371 388 469 372 0.834 33.58 1.2 81 82 72 91 505 8.9 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6966 3346.6 3.8 scans 44% 505 m/z (204) 0.85% 0.191% 2624 1.1 335 125827 1.37% 6409057 6409057 45901165 0-0 18: 505 271 491 506 361 109 169 223 492 507 289 272 493 201 448 273 257 450 0.977 33.69 0.4 94 96 92 98 505 77.5 5.347 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8934 3370.0 5.8 scans 17% TIC 1.0% 0.0120% 2643 1.8 137 97978 405150 383832 0-1 0.727 33.80 11.6 92 93 70 95 646 19.3 1.996 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4532 3436.5 4.0 scans 82% 271 m/z 0.15% 1.34% 2696 1.0 778 698574 3.26% 44936350 42677005 109224671 1-0 20: 271 505 331 73 109 361 241 169 223 506 475 103 127 201 272 217 332 289 199 243 0.998 34.52 -7.7 100 99 99 100 505 178.9 5.281 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5815 3451.7 3.8 scans 9.9% 596 m/z (505) 0.47% 0.0696% 2708 1.0 182 226530 2333003 2315703 4-0 12: 596 597 598 316 599 302 356 370 482 600 354 454 0.790 34.47 13.0 94 97 75 98 596 112.5 38.279 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\Blab_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5910 3452.9 3.6 scans 53% 505 m/z (596) 0.41% 0.408% 2709 0.9 447 260911 3.24% 13697408 13376180 108554581 0-2 15: 505 271 331 109 241 506 475 223 201 272 289 332 507 243 491 0.983 34.59 0.3 97 98 96 99 596 10.3 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN EXBLK5S-N1006 Contamination 6.3709 1048.2 1.8 scans 57% 207 m/z 1.0% 0.0212% 27 1.1 149 92154 605019 586257 1-0 10: 207 295 208 209 296 191 297 279 189 193 0.869 6.63 -15.1 95 95 86 96 295 43.4 8.543 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1192 Contamination 7.9902 1144.2 2.7 scans 97% 73 m/z 0.075% 0.649% 181 0.7 670 1328564 18477975 17683723 3-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 100 103 149 131 134 221 1.000 7.99 0.0 99 98 98 99 235 135.2 4.070 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1026 Cadaverine NC 8.1281 1152.4 2.2 scans 84% 174 m/z 0.85% 0.0253% 194 1.0 147 116365 722593 722593 0-0 17: 174 175 216 86 142 100 176 59 160 130 217 74 143 131 158 101 87 0.992 7.74 23.2 96 96 92 98 216 34.3 5.436 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1188 Contamination 8.3101 1163.2 2.3 scans 67% 281 m/z 4.0% 0.00961% 211 1.2 89 24659 0.0103% 273410 258137 293041 1-0 12: 281 147 369 282 283 370 207 148 265 371 149 249 0.829 8.41 -6.2 94 94 71 96 369 25.4 8.216 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1186 Phosphate 8.5174 1175.5 2.2 scans 96% 241 m/z 0.13% 0.153% 231 1.2 372 742268 4375329 4375329 0-0 20: 241 242 133 73 211 256 163 243 135 195 98 59 89 119 137 121 147 181 134 212 0.999 8.56 -2.5 100 99 99 100 299 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1180 Benzoic acid 9.6779 1243.7 3.8 scans 24% 179 m/z 8.2% 0.00701% 341 0.6 57 12170 199478 199478 0-0 5: 179 105 135 180 51 0.457 9.76 -4.8 83 80 77 94 194 6.6 1.355 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN VEN77_S6-N1002 Glycerol 10.0588 1266.0 6.5 scans 97% 299 m/z 0.011% 6.45% 378 0.4 1433 8444876 183770128 183520809 1-0 20: 299 73 314 133 147 283 207 205 211 193 191 135 117 74 103 225 218 75 131 59 0.998 10.09 -2.0 97 95 90 98 299 771.7 29.168 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6723 1301.9 3.3 scans 87% 199 m/z 1.2% 0.0793% 436 0.8 214 78661 2257581 2256977 1-0 17: 199 75 117 145 55 132 200 129 131 81 67 118 61 76 125 201 53 0.980 10.73 -3.7 89 85 74 99 209 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0090 1322.2 2.7 scans 64% 184 m/z 4.8% 0.0101% 468 0.8 85 20542 0.0130% 289549 289549 369857 0-0 12: 184 134 285 174 86 77 100 59 286 227 172 186 0.957 11.06 -3.3 90 90 77 91 285 25.8 9.212 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3783 1344.4 4.0 scans 24% 57 m/z (163) 0.46% 0.109% 503 0.8 225 213593 0.116% 3111528 2865591 3300265 3-2 19: 57 97 115 145 127 69 129 59 111 109 128 72 98 71 87 201 113 114 96 0.554 11.45 -4.1 95 99 96 99 145 65.1 8.377 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4004 1345.8 3.1 scans 92% TIC 0.040% 0.817% 505 0.7 688 2469234 0.861% 23248108 21180550 24495931 3-1 0.989 10.96 26.8 97 98 96 98 161 175.6 6.520 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1146 Malic acid 13.4585 1472.9 2.6 scans 85% 73 m/z (158 123) 0.24% 0.140% 701 1.1 322 413842 4011337 4005732 1-0 20: 73 147 233 245 133 189 148 190 75 74 191 335 101 175 55 234 149 59 217 246 0.992 13.62 -9.9 93 96 94 96 350 0.0 0.000 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN TAB_REP6-N1026 Malic acid 13.4585 1472.9 2.6 scans 95% TIC 0.23% 0.160% 701 0.9 340 423870 4553900 4532744 1-0 0.997 13.53 -4.7 99 98 97 98 335 39.8 1.369 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9520 1504.2 2.8 scans 35% 156 m/z 3.6% 0.00689% 748 1.0 68 27460 196178 196178 0-0 6: 156 157 258 232 230 158 0.991 14.11 -10.5 82 78 79 91 273 0.0 0.000 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2655 1525.0 2.7 scans 55% 263 m/z 1.1% 0.0235% 777 0.9 128 86659 671013 666580 0-1 13: 263 264 278 447 239 265 448 342 175 279 449 207 128 0.957 14.33 -4.0 81 74 81 95 278 30.0 5.524 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6633 1551.3 2.9 scans 92% TIC 0.34% 0.0823% 815 1.5 233 289170 0.100% 2343951 2297750 2845056 2-0 0.995 14.16 33.0 92 94 91 98 250 43.1 3.430 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1044 Dodecanol 14.7159 1554.8 >4 scans 78% TIC 2.2% 0.0196% 820 1.0 111 43976 0.131% 559615 559615 3727023 0-0 0.995 14.24 31.4 93 95 88 96 243 55.7 25.024 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1858 1654.8 2.8 scans 77% 290 m/z 1.3% 0.0311% 960 1.5 142 75097 0.0503% 887221 812544 1431063 3-0 12: 290 73 291 292 392 158 131 144 115 74 327 293 0.983 16.28 -6.3 82 75 68 98 392 17.1 1.441 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5309 1678.7 3.3 scans 58% TIC 3.8% 0.00791% 993 0.9 92 25686 0.0639% 225134 225134 1817991 0-0 0.978 16.63 -6.7 87 88 88 88 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1010 Glycerol-P 17.4842 1747.2 3.5 scans 97% 357 m/z 0.029% 3.60% 1083 0.4 1415 3418793 102697462 101453509 1-0 20: 357 299 73 358 315 147 300 445 211 359 387 301 103 101 256 129 133 218 328 446 0.999 16.97 37.7 96 99 98 99 445 222.8 2.481 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN TAB_REP6-N1048 Citric acid 18.2365 1802.3 2.6 scans 64% 273 m/z 2.3% 0.0213% 1155 0.9 126 42944 606900 580718 3-1 15: 273 363 274 347 375 465 275 221 211 364 376 305 257 231 183 0.989 18.24 -0.5 94 93 87 97 465 17.4 1.916 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4249 1816.6 4.1 scans 88% 73 m/z 0.031% 3.52% 1173 0.5 1273 3197115 100203725 97605362 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 133 66 213 77 90 121 0.936 17.91 38.4 94 99 93 98 327 123.3 0.939 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1012 Phytol 18.5606 1827.0 3.2 scans 98% 68 m/z 0.064% 1.99% 1186 0.4 1076 1543082 2.19% 56808103 56177927 62306724 1-1 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.9 94 98 99 99 278 61.6 0.327 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1016 Hexadecene 18.6206 1831.5 2.7 scans 92% TIC 0.23% 0.280% 1191 1.5 440 430480 5.93% 7975547 7785345 168711814 0-1 0.998 18.10 39.1 85 85 93 97 280 61.0 1.920 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6448 1833.4 2.8 scans 61% 285 m/z (70) 1.9% 0.0351% 1194 1.0 152 50640 1001436 998336 1-0 15: 285 117 132 129 145 286 131 118 116 201 300 287 61 241 130 0.967 18.73 -6.3 93 95 85 95 300 14.4 0.905 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8489 1849.0 2.6 scans 94% 81 m/z 0.33% 0.308% 1213 1.0 481 298094 8782354 8304932 1-4 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 278 0.999 18.58 20.6 97 95 98 99 278 53.5 1.236 0.270 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9425 1856.1 2.7 scans 71% 73 m/z 1.3% 0.0334% 1222 1.0 158 75884 0.0502% 952667 891486 1428218 2-3 20: 73 103 307 217 147 308 277 124 218 133 205 104 74 309 189 89 117 148 364 191 0.993 18.40 41.1 89 93 91 96 364 14.8 0.881 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1018 Fructose 19.0604 1865.1 2.9 scans 40% 73 m/z 1.5% 0.0285% 1233 1.3 138 63081 0.0936% 813465 774936 2662972 1-5 20: 73 103 307 217 147 308 218 277 309 262 89 104 219 364 74 202 205 148 189 191 0.987 18.52 40.8 86 91 90 93 364 13.8 1.002 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BRA4_R~2-N1004 Galactose 19.2624 1880.5 2.7 scans 69% 73 m/z 1.4% 0.0327% 1252 1.0 157 70466 0.0367% 931856 854000 1044136 0-1 20: 73 319 205 160 147 320 217 103 206 321 229 74 117 148 133 218 207 161 89 189 0.987 19.36 -7.6 95 94 89 95 364 9.4 0.361 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9106 1931.6 3.4 scans 80% TIC 0.67% 0.0482% 1314 0.7 200 149163 0.132% 1372885 1372885 3755474 0-0 0.997 19.91 -0.1 93 92 93 94 361 7.6 0.144 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7839 2001.8 2.8 scans 95% TIC 0.25% 0.491% 1397 0.9 586 395662 0.798% 13972561 13438016 22703546 1-2 0.999 20.27 41.6 83 84 95 98 322 38.7 0.435 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1038 C16:0 21.1532 2032.9 3.6 scans 97% 313 m/z 0.028% 3.52% 1432 0.5 1374 3563225 100257931 100257931 0-0 20: 313 117 73 75 132 129 145 314 55 328 131 118 133 57 69 201 315 74 269 116 1.000 20.62 44.6 94 99 99 100 328 155.3 1.279 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6604 2075.5 2.8 scans 38% 305 m/z 4.4% 0.0133% 1480 0.9 97 22419 380768 347446 4-2 16: 305 217 318 191 265 306 319 307 218 432 433 320 219 192 291 221 0.981 21.75 -7.4 86 86 71 86 507 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9550 2100.3 3.1 scans 73% TIC 1.4% 0.0624% 1508 1.0 197 67408 0.174% 1777075 1682048 4950397 0-1 0.941 22.33 -32.7 94 97 92 97 342 23.9 1.469 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1738 2119.4 2.9 scans 9.9% 396 m/z 14% 0.00205% 1529 1.3 37 6703 0.00309% 58453 58453 87912 0-0 4: 396 219 397 381 0.839 22.19 -1.1 81 84 48 84 396 21.7 34.185 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1040 Phytol 22.6158 2158.0 3.2 scans 93% 143 m/z 0.066% 0.460% 1571 1.0 533 1499302 13111183 12598002 4-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 97 82 83 67 74 96 0.999 22.08 46.5 80 82 90 96 181 9.3 0.031 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1913 2208.6 6.6 scans 91% 79 m/z 0.038% 8.78% 1626 0.2 1613 2571587 9.53% 249893510 238430015 271133826 0-7 20: 79 75 73 95 93 67 108 80 91 81 107 94 121 129 135 149 55 77 335 122 0.992 23.12 6.8 96 95 98 95 350 113.5 0.495 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1036 C18:0 23.4070 2228.3 2.7 scans 91% 117 m/z 0.10% 0.784% 1646 0.8 746 980980 22318187 20565758 2-3 20: 117 341 73 75 132 129 145 342 55 57 356 133 131 69 118 74 201 343 116 297 0.999 22.89 46.5 93 99 98 99 356 93.0 1.553 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1004 Prostaglandin 23.7585 2260.5 9.9 scans 45% TIC 1.7% 0.0242% 1680 0.7 168 58297 0.238% 690208 690208 6771233 0-0 0.935 23.76 0.1 88 88 78 87 360 14.9 0.787 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1436 2295.7 3.1 scans 37% 204 m/z 1.4% 0.0250% 1716 0.9 123 68806 0.0304% 712423 631328 864897 1-10 13: 204 205 217 337 147 206 338 219 218 361 203 189 243 0.794 24.18 -3.4 83 83 77 86 581 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1018 myo-Inositol 25.2147 2397.3 3.3 scans 81% TIC 0.36% 0.255% 1818 1.2 388 272463 0.482% 7255722 7255722 13713169 0-0 0.977 25.21 0.5 96 94 94 99 470 25.9 0.446 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6177 2437.1 3.2 scans 58% 91 m/z 0.43% 0.0683% 1856 1.2 201 230396 1945472 1726528 2-3 18: 91 117 194 207 92 115 208 193 65 312 104 118 51 178 128 116 179 102 0.979 25.61 0.8 98 98 98 98 312 23.3 1.346 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5594 2531.7 2.8 scans 47% 512 m/z (218) 1.1% 0.0522% 1946 0.8 190 84525 1485854 1485854 0-0 17: 512 455 247 513 456 483 263 514 349 457 484 497 249 235 423 234 409 0.957 26.57 -1.4 93 94 85 96 512 59.6 9.826 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9329 2570.2 2.8 scans 92% 371 m/z 0.048% 1.09% 1981 0.7 867 2081688 31242012 30600099 1-1 20: 371 372 73 147 57 129 205 203 239 55 373 103 71 459 116 75 145 101 117 85 1.000 26.39 55.6 90 97 98 100 459 105.7 1.490 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1008 Sucrose 27.4232 2621.6 2.7 scans 71% 361 m/z 0.21% 0.260% 2028 0.9 428 469425 7418438 6541394 1-20 18: 361 217 362 147 437 363 103 271 218 451 169 438 243 319 191 439 219 364 0.954 27.59 -17.9 99 98 94 98 437 75.8 3.136 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN LQC1-N1010 Sucrose 27.4243 2621.7 3.1 scans 72% TIC 0.21% 0.242% 2028 1.3 432 467221 0.582% 6910314 6508598 16558225 1-0 0.913 27.58 -16.5 99 98 96 99 437 75.1 3.021 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.8357 2665.6 2.8 scans 77% 73 m/z 0.62% 0.170% 2067 1.1 360 159077 0.684% 4852954 4552728 19460182 1-1 20: 73 161 109 57 160 205 145 287 214 147 286 127 75 201 186 172 517 103 301 312 0.995 27.98 -15.6 98 97 97 97 662 15.6 0.187 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9115 2673.7 2.8 scans 81% 73 m/z 0.46% 0.229% 2074 1.0 422 213389 0.678% 6525804 6510668 19289479 1-0 20: 73 161 109 57 160 205 145 214 287 147 286 83 127 201 517 75 186 312 172 301 0.998 27.91 0.3 100 99 99 99 662 18.3 0.187 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0377 2687.2 2.9 scans 50% 161 m/z 1.8% 0.0547% 2086 1.2 202 54918 0.565% 1557755 1557755 16074566 0-0 14: 161 109 287 205 145 160 517 574 301 127 172 182 162 245 0.958 28.03 0.5 96 96 91 95 574 19.0 0.885 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6848 2759.3 2.8 scans 92% TIC 0.20% 0.755% 2148 0.9 718 478586 1.38% 21503346 21503346 39261771 0-0 0.999 28.67 2.0 92 90 92 94 457 112.8 2.471 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7301 2764.4 2.9 scans 89% TIC 0.077% 0.654% 2152 1.0 692 1296143 1.34% 18631785 17857912 38123749 0-1 0.999 28.19 60.5 89 98 98 99 487 86.1 1.549 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1034 Nonacosane 29.5087 2851.9 2.7 scans 53% 57 m/z 0.75% 0.0516% 2226 1.1 207 132853 1469416 1360321 3-1 18: 57 71 85 55 99 56 365 83 97 113 70 127 84 393 366 141 98 364 0.988 29.50 0.4 97 97 97 97 408 3.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8338 2888.5 3.0 scans 68% 57 m/z 0.36% 0.143% 2257 0.8 300 277218 4092554 3640215 3-4 17: 57 71 85 99 56 83 70 97 113 127 84 141 98 155 86 58 126 0.995 29.83 0.8 98 97 99 99 408 18.1 0.363 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1042 C20:0-2-glycerol 30.4104 2956.3 2.9 scans 91% TIC 0.081% 1.84% 2312 0.6 1084 1224883 2.10% 52589865 49885781 59746174 1-0 0.975 30.38 3.4 93 88 78 100 485 170.1 2.459 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4746 2964.0 3.7 scans 78% TIC 0.23% 0.251% 2318 1.4 381 423253 1.83% 7165260 6830325 52064523 0-1 0.989 30.46 1.4 99 97 99 100 393 79.8 4.395 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2248 3053.1 3.0 scans 88% 57 m/z 0.070% 0.832% 2389 0.7 729 1427387 23676973 22382143 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 155 98 421 82 0.998 31.21 1.6 99 97 99 100 393 108.8 2.227 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1048 Hentriacontane 31.5300 3089.3 3.2 scans 87% 57 m/z 0.066% 0.887% 2418 0.7 740 1496730 25249819 23794057 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.998 31.53 -0.2 99 97 99 99 436 40.7 0.302 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8214 3123.9 2.7 scans 84% 502 m/z 0.087% 0.490% 2446 0.8 594 1138075 13959090 13351711 1-1 15: 502 237 503 73 236 238 504 277 221 208 223 74 239 505 193 0.998 31.79 3.5 100 99 99 100 502 283.3 22.739 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9466 3138.8 3.3 scans 75% TIC 0.49% 0.325% 2458 0.8 470 201842 0.700% 9247547 8646659 19915391 4-0 0.981 31.87 9.4 96 95 95 97 458 65.5 1.945 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1245 3159.9 3.0 scans 70% 57 m/z 0.13% 0.411% 2475 0.8 513 749004 0.513% 11697639 11413624 14595137 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 420 113 422 111 127 84 141 58 155 0.986 32.11 1.7 98 97 99 99 421 112.4 4.796 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3202 3183.2 3.0 scans 23% 57 m/z 0.65% 0.0826% 2493 1.1 232 151968 0.440% 2350418 1872557 12518246 4-19 13: 57 71 85 99 56 70 113 127 84 86 112 58 140 0.898 32.33 -0.7 82 88 92 88 785 4.4 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1004 Campesterol 32.8021 3240.4 4.0 scans 65% TIC 0.16% 1.27% 2539 0.8 801 618573 1.31% 36376851 33187476 37270232 2-1 0.741 32.21 70.3 83 95 87 98 472 116.8 2.126 0.592 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1046 Stigmasterol 33.0083 3264.9 3.7 scans 88% 83 m/z (491) 0.093% 2.41% 2559 0.4 1084 1073564 68740124 62483821 1-1 20: 83 129 255 55 394 69 81 73 484 159 133 75 145 119 105 351 107 355 93 95 1.000 32.98 3.1 94 94 98 97 665 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1062 3276.5 3.2 scans 76% 57 m/z 0.085% 0.686% 2568 0.8 661 1174650 19522188 18100851 2-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 82 0.986 33.10 1.1 87 83 97 94 515 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN WTF2-N1034 b-Sitosterol 33.4923 3322.4 3.6 scans 80% 129 m/z 0.16% 1.15% 2605 0.5 819 589029 1.93% 32954386 32001996 54909579 2-2 20: 129 357 396 486 73 381 95 75 107 119 121 81 57 145 105 397 358 356 55 159 0.997 32.88 73.1 84 95 98 99 486 112.5 1.886 0.615 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5839 3333.2 >4 scans 79% 505 m/z (483) 0.33% 0.701% 2613 1.3 588 297104 2.65% 19958937 19776746 75393981 1-0 19: 505 271 361 491 169 506 103 109 223 492 272 127 289 362 507 243 201 493 273 0.986 33.57 1.4 93 93 93 99 505 116.2 3.908 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5839 3333.2 >4 scans 50% 505 m/z 0.39% 0.410% 2613 1.3 470 253168 1.55% 11684234 11577576 44098366 1-0 19: 505 271 361 491 169 506 103 109 223 492 272 127 289 362 507 243 201 493 273 0.821 33.63 -4.9 96 95 92 99 505 116.2 6.117 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5954 3334.6 3.3 scans 31% 386 m/z (505) 1.0% 0.241% 2615 1.1 362 95975 0.278% 6869252 6612049 7909255 0-12 7: 386 296 281 387 379 394 371 0.894 33.58 1.3 88 90 84 95 505 9.5 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7059 3347.7 3.5 scans 50% 505 m/z 0.56% 0.259% 2625 0.9 441 176069 1.22% 7370246 7370246 34709682 0-0 19: 505 271 491 361 57 169 109 506 223 71 492 127 507 272 85 56 83 289 449 0.952 33.69 1.5 97 96 92 98 505 101.7 5.331 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8932 3370.0 3.2 scans 5.8% 441 m/z 2.1% 0.0107% 2643 0.9 80 45723 305358 295005 2-1 7: 441 442 308 646 647 443 309 0.725 33.80 11.6 89 90 62 93 646 16.5 4.294 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4614 3437.5 4.0 scans 83% 271 m/z (71) 0.15% 1.52% 2697 0.9 825 642524 2.95% 43314643 40388945 83929149 1-0 20: 271 73 331 505 109 361 241 169 223 127 103 506 475 201 217 272 332 289 199 243 0.998 34.59 -15.1 98 99 98 100 596 0.0 0.000 -0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4614 3437.5 4.0 scans 83% 271 m/z 0.15% 1.41% 2697 0.9 827 640875 2.74% 40288912 37567587 77954531 1-0 20: 271 73 331 505 109 361 241 169 223 127 103 506 475 201 217 272 332 289 199 243 0.999 34.52 -6.7 100 99 99 100 505 182.1 4.853 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5877 3452.5 3.7 scans 15% 596 m/z (271) 0.36% 0.108% 2709 0.9 231 270357 3091961 2906010 4-2 12: 596 597 598 316 302 356 599 315 318 303 300 304 0.708 34.47 13.8 94 97 75 99 596 138.1 35.621 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN EXBLK5S-N1006 Contamination 6.3636 1047.8 2.1 scans 68% 207 m/z 0.86% 0.0319% 26 1.5 184 115789 1004843 1004400 0-1 11: 207 295 208 209 296 191 297 279 193 189 90 0.959 6.63 -15.5 93 92 81 93 295 46.8 6.434 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8655 1077.6 >6 scans 13% 117 m/z (131) 16% 0.00391% 74 0.5 41 5906 0.0204% 123297 123297 642201 0-0 2: 117 147 0.974 6.82 2.7 81 85 77 87 295 0.0 0.000 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1192 Contamination 7.9945 1144.5 2.7 scans 95% 73 m/z 0.064% 0.748% 181 0.7 738 1538707 23551566 20933730 4-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 149 100 103 131 134 221 0.998 7.99 0.3 99 97 97 98 235 151.3 4.201 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1026 Cadaverine NC 8.1239 1152.2 2.4 scans 86% 174 m/z 0.76% 0.0326% 194 1.0 161 131391 0.315% 1026736 889237 9916343 6-3 20: 174 73 216 175 142 86 59 176 100 160 130 217 74 143 87 131 101 231 161 172 0.999 7.74 23.0 96 95 93 99 216 39.0 5.875 0.388 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1188 Contamination 8.3081 1163.1 2.5 scans 65% 281 m/z 3.8% 0.00939% 211 1.6 89 26053 0.00953% 295874 261976 300009 1-0 11: 281 369 282 283 370 207 371 265 249 149 191 0.978 8.41 -6.3 94 93 73 96 369 26.5 8.935 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1186 Phosphate 8.5248 1175.9 2.2 scans 97% 241 m/z 0.035% 0.561% 232 0.8 745 2842668 17666716 16829002 1-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 137 75 181 134 212 1.000 8.56 -2.1 100 99 99 100 299 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1180 Benzoic acid 9.6812 1243.9 3.5 scans 24% 179 m/z 8.3% 0.00567% 342 0.7 53 11941 0.00604% 178548 175650 190142 0-1 5: 179 105 135 180 194 0.575 9.76 -4.6 93 95 87 95 194 9.2 3.030 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN VEN77_S6-N1002 Glycerol 10.0589 1266.0 6.6 scans 97% 299 m/z 0.011% 5.62% 378 0.2 1418 8414521 177099141 176199524 1-0 20: 299 73 314 133 283 315 207 147 211 193 205 191 135 74 225 103 75 117 131 115 1.000 10.09 -2.0 98 96 92 99 299 783.2 30.651 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6734 1302.0 3.6 scans 88% TIC 1.3% 0.0945% 436 0.9 236 75865 2976189 2720976 1-1 0.993 10.73 -3.6 84 77 64 99 209 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0101 1322.3 2.8 scans 58% 184 m/z 3.6% 0.0124% 468 0.8 99 27358 390619 390619 0-0 18: 184 134 285 174 86 77 100 59 185 227 286 175 172 135 130 186 110 74 0.904 11.06 -3.2 96 96 89 96 285 30.1 9.173 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3763 1344.3 4.3 scans 29% 57 m/z (84 163) 0.51% 0.0898% 503 0.7 215 192662 0.0969% 2826954 2713420 3050456 3-0 17: 57 97 115 145 127 69 129 59 111 109 58 72 87 98 114 96 110 0.948 11.45 -4.2 93 99 95 98 145 64.3 8.965 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1024 Contamination 10.96min 11.3973 1345.6 2.7 scans 89% 84 m/z 0.074% 0.346% 505 0.8 516 1341054 10907082 10228107 4-5 20: 84 133 161 162 119 92 82 118 65 85 51 78 130 134 117 63 91 104 120 52 0.992 10.96 26.6 96 96 96 98 161 133.0 6.643 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN TAB_REP6-N1026 Malic acid 13.4523 1472.5 2.8 scans 98% 177 m/z (231) 0.24% 0.148% 700 0.9 347 407904 4669602 4669602 1-0 6: 177 135 178 105 87 81 0.999 13.53 -5.1 97 98 96 98 335 40.3 1.350 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1146 Malic acid 13.4523 1472.5 2.8 scans 72% 177 m/z 0.43% 0.108% 700 0.9 297 231309 3407694 3407694 1-0 6: 177 135 178 105 87 81 0.752 13.62 -10.3 98 97 75 98 350 5.5 0.000 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9531 1504.3 2.8 scans 35% 156 m/z 2.5% 0.00910% 748 1.0 84 39554 286501 286501 0-0 7: 156 232 157 258 230 158 199 0.986 14.11 -10.4 83 78 79 93 273 0.0 0.000 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2667 1525.0 2.7 scans 59% 263 m/z 0.63% 0.0351% 777 1.0 166 157169 1106522 1106522 0-0 17: 263 264 278 447 265 279 449 175 448 247 207 128 205 191 135 280 119 0.957 14.33 -4.0 87 82 86 98 278 41.6 6.306 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6644 1551.4 2.9 scans 93% TIC 0.18% 0.141% 815 1.4 324 534999 0.266% 4446788 4426005 8373800 2-0 0.987 14.16 33.1 92 93 90 98 250 60.3 3.472 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1044 Dodecanol 14.7160 1554.8 >3 scans 73% TIC 1.5% 0.0209% 820 1.7 133 63714 0.191% 660116 660116 6012766 0-0 0.980 14.24 31.4 93 95 92 97 243 68.1 26.176 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 3.0 scans 75% 290 m/z 1.2% 0.0328% 960 1.8 150 83312 0.0438% 1035225 974554 1378844 2-0 12: 290 73 291 292 158 392 144 74 131 115 59 100 0.991 16.28 -6.3 83 77 69 97 392 16.9 1.272 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 2.8 scans 72% TIC 1.5% 0.0183% 993 1.0 149 63331 0.0910% 576387 576387 2864721 0-0 0.978 16.63 -6.5 94 94 91 93 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1010 Glycerol-P 17.4853 1747.3 3.4 scans 97% 357 m/z 0.028% 3.28% 1083 0.4 1453 3535063 103450349 102193378 1-0 20: 357 299 73 358 315 147 300 370 445 211 359 301 387 256 103 101 129 133 218 328 0.996 16.97 37.8 96 99 98 99 445 228.0 2.467 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN TAB_REP6-N1048 Citric acid 18.2366 1802.3 2.5 scans 51% 273 m/z 3.6% 0.0122% 1155 0.9 102 27048 0.0127% 386595 386595 399802 0-0 15: 273 363 347 274 375 275 465 148 376 364 183 305 231 221 257 0.968 18.24 -0.5 88 88 82 92 465 13.7 1.808 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4260 1816.7 4.1 scans 94% TIC 0.030% 3.52% 1173 0.5 1372 3324442 110940160 109588357 0-3 0.987 17.91 38.5 96 99 98 100 327 128.4 0.876 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1012 Phytol 18.5607 1827.0 3.4 scans 97% 68 m/z 0.068% 1.75% 1186 0.5 1060 1454153 1.93% 55252120 54761739 60757274 1-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 38.9 94 98 99 99 278 61.3 0.335 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1016 Hexadecene 18.6196 1831.5 2.6 scans 87% 70 m/z (73) 0.24% 0.219% 1191 1.1 425 407663 1.53% 6897966 6280662 48165093 0-1 20: 70 69 55 57 71 83 56 111 125 97 126 280 84 85 67 140 112 68 82 98 0.998 18.10 39.1 85 88 93 97 280 63.4 2.222 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.8 scans 52% 285 m/z (70) 2.1% 0.0273% 1194 1.0 140 46225 0.390% 862058 809750 12277377 12-0 14: 285 117 132 129 286 145 118 241 300 116 287 201 61 146 0.940 18.73 -6.3 93 95 82 95 300 13.5 0.935 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1002 Phytol 18.8min 18.8500 1849.0 2.6 scans 93% 81 m/z 0.35% 0.268% 1213 1.0 482 284582 8462320 7981994 1-3 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 56 111 110 0.999 18.84 0.7 99 98 99 98 278 53.9 1.251 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BRA4_R~2-N1004 Galactose 19.2614 1880.4 2.6 scans 62% 319 m/z 1.6% 0.0257% 1252 1.0 148 59026 0.0329% 810678 752872 1035707 3-1 17: 319 205 160 147 320 217 321 103 206 229 148 157 189 89 218 161 207 0.995 19.36 -7.7 94 94 90 95 364 7.1 0.226 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9117 1931.6 2.6 scans 60% 204 m/z 0.43% 0.0536% 1314 1.1 211 232310 1688733 1541843 4-2 15: 204 217 159 205 147 206 129 218 219 191 160 305 203 291 243 0.876 19.91 -0.1 96 96 75 96 361 10.7 0.259 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7850 2001.9 3.0 scans 93% TIC 0.24% 0.466% 1397 1.0 609 404445 0.757% 14687118 14503918 23830703 1-1 0.999 20.27 41.7 83 83 94 98 322 40.7 0.447 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1038 C16:0 21.1596 2033.4 3.8 scans 97% 313 m/z 0.026% 3.48% 1433 0.3 1417 3755930 109708491 107240746 0-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 315 57 69 269 74 285 1.000 20.62 45.1 94 99 99 100 328 161.9 1.307 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6605 2075.5 2.8 scans 31% 305 m/z 4.6% 0.0116% 1480 0.9 95 21654 366269 337967 2-2 15: 305 217 318 191 306 265 319 218 219 432 307 192 433 291 221 0.973 21.75 -7.4 86 87 70 87 507 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9572 2100.5 3.5 scans 71% TIC 1.4% 0.0659% 1508 1.1 206 70116 0.180% 2077038 2077038 5666481 0-0 0.944 22.33 -32.5 94 97 93 98 342 24.2 1.375 -0.373 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1750 2119.5 2.8 scans 10% 396 m/z 11% 0.00265% 1529 1.1 46 8928 0.00382% 83646 83646 120255 0-0 6: 396 219 397 381 220 398 0.724 22.19 -1.0 84 87 49 87 396 25.5 30.516 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1040 Phytol 22.6180 2158.2 3.5 scans 92% 143 m/z 0.059% 0.513% 1571 1.0 570 1675043 16170731 15401372 4-1 19: 143 73 75 144 123 81 55 57 145 124 95 69 103 82 97 83 67 74 96 1.000 22.08 46.7 81 83 90 97 181 9.8 0.030 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1924 2208.7 7.3 scans 90% 79 m/z 0.040% 8.17% 1626 0.3 1608 2491546 9.50% 257456514 257456514 299064300 0-0 20: 79 75 73 95 93 67 108 80 81 107 91 94 129 55 121 135 77 117 149 122 0.988 23.12 6.9 95 95 97 95 350 114.6 0.509 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1036 C18:0 23.4124 2228.8 2.7 scans 92% 341 m/z 0.085% 0.846% 1647 0.7 814 1165151 26632817 25904990 2-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 343 69 201 74 297 313 0.995 22.89 47.0 93 99 97 99 356 104.0 1.632 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1004 Prostaglandin 23.7585 2260.5 8.6 scans 50% TIC 1.1% 0.0461% 1680 0.4 212 88017 0.292% 1454119 1454119 9192292 0-0 0.934 23.76 0.1 91 91 80 91 360 18.6 0.773 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1468 2296.0 3.3 scans 38% 204 m/z (333 98) 1.1% 0.0318% 1716 0.9 140 90452 0.0382% 1004200 916702 1202553 1-10 14: 204 205 217 337 147 206 338 219 218 361 339 189 243 319 0.951 24.01 12.5 85 89 83 90 490 0.0 0.000 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1468 2296.0 3.3 scans 35% 204 m/z 1.0% 0.0271% 1716 0.9 135 92204 0.0325% 855735 781173 1023115 1-10 14: 204 205 217 337 147 206 338 219 218 361 339 189 243 319 0.700 24.18 -3.1 85 84 68 88 581 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1018 myo-Inositol 25.2158 2397.4 3.6 scans 74% TIC 0.39% 0.213% 1818 1.3 373 251155 0.424% 6723616 6723616 13347712 0-0 0.952 25.21 0.6 96 94 94 99 470 25.5 0.467 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6178 2437.1 3.3 scans 47% 91 m/z 0.50% 0.0553% 1856 1.5 189 198014 1743554 1659094 2-3 16: 91 117 194 207 92 115 208 193 65 312 104 51 118 178 179 128 0.910 25.61 0.8 97 98 97 98 312 22.2 1.378 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3753 2512.6 3.0 scans 64% 204 m/z 0.23% 0.125% 1928 1.1 337 416798 0.193% 3944429 3944429 6075727 0-0 11: 204 217 205 147 219 206 218 191 101 305 148 0.988 25.86 51.9 80 83 89 98 361 15.6 0.215 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5584 2531.6 2.9 scans 25% 512 m/z 1.6% 0.0401% 1946 1.0 172 59823 1262528 1261954 0-1 17: 512 455 247 513 456 483 514 248 263 349 457 484 497 423 261 409 515 0.938 26.57 -1.5 93 93 78 94 512 61.1 12.606 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9383 2570.8 2.8 scans 91% 371 m/z 0.033% 1.40% 1982 0.6 1047 2978570 44159953 43321502 1-0 20: 371 372 73 147 129 57 205 203 239 373 459 103 71 55 116 145 75 85 117 101 1.000 26.39 56.2 90 98 98 100 459 130.2 1.551 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1008 Sucrose 27.3981 2618.9 >21 scans 54% 317 m/z 0.61% 0.254% 2025 3.9 242 163853 8000869 8000869 0-0 1: 317 0.603 27.59 -20.6 95 95 66 95 437 44.2 0.000 -0.193 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN LQC1-N1010 Sucrose 27.4223 2621.5 2.8 scans 54% 361 m/z 0.23% 0.209% 2028 0.9 407 425179 6585889 6384881 0-3 11: 361 362 437 363 271 451 438 169 439 364 452 0.931 27.58 -16.7 99 98 92 99 437 74.0 3.302 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9095 2673.5 2.9 scans 63% 161 m/z 0.86% 0.106% 2074 1.1 313 116175 0.352% 3351721 3327419 11081119 1-0 16: 161 109 160 57 205 214 145 287 286 517 186 172 312 83 127 301 0.984 27.91 0.1 97 96 97 96 662 13.7 0.192 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0357 2686.9 3.1 scans 33% 161 m/z 3.3% 0.0291% 2086 1.2 158 29421 0.301% 916250 916250 9475616 0-0 15: 161 109 287 517 145 160 162 301 182 245 304 574 288 172 289 0.940 28.03 0.2 90 91 85 90 574 13.0 0.680 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6786 2758.6 >3 scans 82% TIC 0.52% 0.243% 2147 1.2 455 188845 1.03% 7674778 7440648 32424866 1-0 0.997 28.67 1.3 91 90 91 93 457 72.5 2.533 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7333 2764.7 3.0 scans 91% TIC 0.057% 0.896% 2152 0.8 807 1739532 1.12% 28221316 27905775 35258107 0-1 0.998 28.19 60.8 89 97 97 99 487 102.0 1.598 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1034 Nonacosane 29.5119 2852.3 3.2 scans 47% 57 m/z 0.85% 0.0498% 2226 1.2 197 117506 0.0571% 1567942 1465406 1797534 3-6 17: 57 71 85 56 55 99 365 83 97 70 113 127 84 364 393 58 86 0.986 29.50 0.8 96 97 96 96 408 5.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8339 2888.5 3.2 scans 62% 57 m/z 0.46% 0.103% 2257 1.0 267 212904 3255038 2783902 4-3 17: 57 71 85 99 56 83 70 97 113 127 84 141 98 155 86 140 126 0.995 29.83 0.8 97 96 99 98 408 16.0 0.359 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1042 C20:0-2-glycerol 30.4000 2955.1 3.2 scans 81% 189 m/z 0.19% 0.745% 2311 1.1 716 508978 0.939% 23479853 22030871 29560145 1-0 18: 189 129 369 145 117 188 485 57 103 204 75 55 370 131 385 69 83 97 0.983 30.38 2.2 90 84 77 100 485 111.4 2.421 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4274 2958.4 3.6 scans 48% 193 m/z (189) 0.44% 0.231% 2313 1.0 361 224321 7302098 6674408 2-2 17: 193 119 105 163 120 194 176 91 206 247 515 106 307 516 164 529 230 0.870 30.36 8.3 87 91 86 91 529 15.1 0.174 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4747 2964.0 4.4 scans 85% TIC 0.16% 0.324% 2318 1.0 468 605043 1.18% 10204861 9705586 37146934 0-1 0.999 30.46 1.4 99 97 99 100 393 101.6 4.706 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2197 3052.5 3.2 scans 87% 57 m/z 0.091% 0.598% 2389 0.8 646 1094511 18849345 18833831 0-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 98 394 421 0.996 31.21 1.0 99 98 99 100 393 95.0 2.164 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1048 Hentriacontane 31.5258 3088.8 3.1 scans 84% 57 m/z 0.084% 0.612% 2418 0.7 666 1189086 19293445 19113525 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 112 155 72 58 0.999 31.53 -0.7 99 98 99 98 436 36.4 0.298 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6879 3108.1 3.7 scans 16% 204 m/z 1.8% 0.00901% 2433 1.1 110 55465 0.0728% 283642 283642 2291777 0-0 11: 204 205 337 597 73 217 103 361 598 129 191 0.861 31.68 1.5 83 85 79 84 597 14.3 1.669 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8173 3123.4 3.0 scans 72% 502 m/z 0.16% 0.266% 2445 0.9 438 607862 8389419 7864242 1-1 16: 502 237 503 73 236 238 504 277 221 223 239 208 505 74 193 222 0.986 31.79 3.0 100 99 98 99 502 210.5 23.145 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9467 3138.8 3.3 scans 67% 329 m/z 0.62% 0.282% 2458 1.0 425 160076 8878323 7556005 1-5 17: 329 129 368 458 353 95 330 107 121 119 328 105 81 145 369 91 93 0.993 31.87 9.4 96 95 95 98 458 61.4 2.087 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1224 3159.7 4.1 scans 69% TIC 0.11% 0.465% 2474 0.9 575 872483 0.947% 14648446 14308219 29811989 1-0 0.989 32.11 1.5 97 95 99 99 421 122.4 4.530 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1004 Campesterol 32.8011 3240.3 4.1 scans 67% TIC 0.17% 1.10% 2539 0.7 798 556067 1.24% 34933085 32177468 39035761 1-1 0.785 32.21 70.2 83 94 89 98 472 114.8 2.067 0.591 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1046 Stigmasterol 33.0010 3264.0 3.6 scans 89% 83 m/z 0.086% 1.98% 2558 0.6 1135 1154751 62448725 58980266 1-1 20: 83 129 55 255 394 69 81 484 73 75 159 133 119 105 107 145 93 355 95 351 0.997 32.98 2.2 96 94 97 98 665 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1020 3276.0 3.2 scans 65% 57 m/z 0.10% 0.521% 2568 1.0 592 910973 0.983% 16423944 15480464 30945285 1-10 20: 57 71 85 55 69 99 83 97 56 113 70 127 111 84 141 98 112 155 58 126 0.957 33.10 0.6 87 86 96 94 515 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN WTF2-N1034 b-Sitosterol 33.4882 3321.9 3.6 scans 83% 129 m/z 0.17% 1.02% 2604 0.6 824 570108 32143234 32131605 1-0 20: 129 357 396 486 73 381 95 121 57 75 119 107 81 397 358 145 105 356 55 159 0.997 32.88 72.6 84 95 98 99 486 113.4 1.897 0.611 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5818 3333.0 9.0 scans 38% 505 m/z 0.52% 0.240% 2613 1.3 394 190209 0.671% 7577473 7577473 21123384 0-0 19: 505 271 361 491 506 169 103 492 223 289 127 201 272 507 362 493 243 273 363 0.740 33.63 -5.1 94 93 88 99 505 98.4 6.230 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5882 3333.7 8.1 scans 55% 73 m/z 0.45% 0.308% 2614 1.1 499 222093 0.964% 9706283 9021487 30347156 1-0 20: 73 109 147 215 57 157 117 185 171 216 74 473 488 202 203 244 345 128 183 151 0.920 33.57 1.9 95 93 89 99 505 95.9 3.690 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5966 3334.7 3.6 scans 43% 386 m/z (505) 0.76% 0.298% 2615 1.1 418 131029 9389196 8963997 1-2 8: 386 296 281 387 119 371 211 213 0.978 33.58 1.4 93 95 94 97 505 8.5 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7039 3347.5 3.8 scans 31% 57 m/z (204) 0.87% 0.116% 2625 1.1 274 114305 0.931% 3669042 3669042 29308301 0-0 20: 57 505 71 56 85 449 491 271 506 109 169 492 69 55 97 450 127 70 83 223 0.946 33.69 1.3 86 89 76 90 505 53.7 3.830 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8943 3370.1 3.6 scans 13% 441 m/z 1.1% 0.0378% 2643 0.9 152 89221 1190132 1130287 1-1 6: 441 442 308 646 443 237 0.454 33.80 11.7 90 90 81 94 646 22.6 2.210 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4520 3436.3 3.8 scans 75% 271 m/z 0.25% 0.689% 2696 1.1 644 395388 1.26% 21708698 20979040 39665370 1-0 20: 271 505 73 331 109 361 241 169 223 506 127 103 475 201 272 217 199 332 289 243 0.996 34.59 -16.3 100 99 98 100 596 0.0 0.000 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5856 3452.2 4.2 scans 22% 596 m/z (331) 0.44% 0.0951% 2709 0.9 219 226153 2995508 2819863 4-2 13: 596 597 598 316 599 302 356 318 315 303 300 330 304 0.937 34.47 13.5 95 97 87 98 596 128.4 34.433 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN EXBLK5S-N1006 Contamination 6.3763 1048.6 2.2 scans 69% 207 m/z 0.74% 0.0273% 28 1.1 161 135037 0.0289% 795288 790252 839452 0-4 17: 207 73 295 208 209 296 191 297 279 193 189 210 177 192 119 247 263 0.948 6.63 -14.7 98 97 91 97 295 53.0 10.792 -0.249 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1192 Contamination 8.0829 1149.7 2.6 scans 96% 73 m/z 0.12% 0.407% 190 0.6 518 786349 0.430% 11850289 10835161 12490121 12-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 100 149 75 131 134 221 0.999 7.99 5.5 97 96 97 97 235 106.1 4.203 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1026 Cadaverine NC 8.1366 1152.9 2.3 scans 82% 174 m/z 0.76% 0.0276% 195 1.0 156 131498 0.172% 802097 797622 4996048 0-3 18: 174 73 175 216 86 142 176 100 59 160 130 217 143 231 158 161 172 87 0.994 7.74 23.7 95 94 92 98 216 37.7 5.851 0.401 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1188 Contamination 8.3186 1163.7 2.2 scans 77% 281 m/z 1.9% 0.0168% 212 1.1 124 51981 489330 489316 1-0 15: 281 147 369 282 283 370 265 207 148 371 249 149 191 284 193 0.974 8.41 -5.7 98 97 81 99 369 37.0 8.867 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1186 Phosphate 8.5985 1180.3 2.3 scans 96% 241 m/z 0.11% 0.192% 239 1.0 400 880171 5591365 5455410 1-0 19: 241 242 133 211 163 73 256 243 195 135 98 59 89 119 137 212 121 181 134 1.000 8.56 2.3 100 100 99 100 299 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1180 Benzoic acid 9.7391 1247.3 3.5 scans 20% 179 m/z 7.9% 0.00673% 347 0.7 52 12515 0.00715% 195537 144298 207685 9-0 6: 179 105 135 77 180 181 0.418 9.76 -1.2 92 94 85 94 194 8.8 2.886 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LACTIC~1-N1034 Glycerol 10.0379 1264.8 >5 scans 8.8% 218 m/z (302) 0.88% 0.0912% 376 1.2 180 113334 0.188% 2651505 2517253 5460797 1-0 4: 218 219 220 217 0.680 10.11 -4.2 89 96 58 92 293 15.8 0.777 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN VEN77_S6-N1002 Glycerol 10.1021 1268.5 5.8 scans 95% 299 m/z 0.011% 5.76% 382 0.3 1439 8449487 167563427 167281940 2-0 20: 299 300 73 314 301 133 283 207 147 315 211 193 191 205 316 135 74 225 75 103 0.997 10.09 0.5 98 96 93 98 299 771.1 28.874 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7155 1304.5 6.0 scans 60% TIC 1.6% 0.0719% 440 0.5 173 60914 0.167% 2091295 2063943 4850814 3-2 0.725 10.73 -1.1 93 91 90 99 209 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0501 1324.7 2.7 scans 44% 184 m/z 5.5% 0.00830% 472 0.7 76 18120 0.0122% 241212 227679 354371 0-1 13: 184 134 285 174 86 77 286 100 59 185 172 227 186 0.850 11.06 -0.8 92 93 84 93 285 24.3 10.175 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4089 1346.3 5.8 scans 45% 57 m/z 0.66% 0.0866% 506 0.6 182 150541 0.102% 2517344 2495391 2962773 0-1 17: 57 97 115 145 127 129 69 56 109 128 59 72 58 98 87 201 113 0.982 11.45 -2.2 93 93 88 94 145 55.9 9.409 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4405 1348.2 3.0 scans 93% TIC 0.058% 0.617% 509 0.6 574 1709778 17950064 14349904 5-4 0.994 10.96 29.2 95 96 96 98 161 148.9 6.721 0.485 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN TAB_REP6-N1026 Malic acid 13.4765 1474.0 2.5 scans 91% 73 m/z 0.24% 0.151% 702 1.0 340 402651 4404795 4275775 1-1 20: 73 147 233 245 133 148 189 75 74 190 191 175 149 55 101 234 335 177 59 117 0.987 13.53 -3.6 99 98 97 98 335 39.7 1.368 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9731 1505.6 2.8 scans 20% 156 m/z 3.9% 0.00609% 750 1.2 64 25632 177054 177054 1-0 5: 156 157 258 230 232 0.435 14.11 -9.1 83 82 77 91 273 0.0 0.000 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2846 1526.2 2.8 scans 63% 263 m/z 0.55% 0.0459% 779 1.0 179 178883 1335718 1186560 4-1 18: 263 73 264 278 447 239 265 342 279 448 449 175 247 74 207 335 191 240 0.973 14.33 -2.8 84 77 84 96 278 43.6 5.893 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6834 1552.7 3.2 scans 89% TIC 0.35% 0.0808% 817 1.3 232 284798 0.265% 2347931 2329678 7697400 1-0 0.996 14.16 34.4 91 93 91 98 250 44.0 3.597 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 >3 scans 78% TIC 1.2% 0.0294% 822 1.0 146 80677 0.181% 856048 855830 5257469 0-1 0.992 14.24 32.6 93 95 92 97 243 75.3 26.539 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1975 1655.6 3.0 scans 74% 290 m/z 1.1% 0.0347% 961 1.8 146 88743 0.0446% 1008323 943973 1295487 2-0 11: 290 73 291 292 158 392 144 74 115 59 393 0.968 16.28 -5.5 85 79 72 98 392 18.0 1.503 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5479 1679.9 3.0 scans 71% TIC 1.7% 0.0193% 994 1.1 143 58423 0.121% 563456 563456 3514662 0-0 0.987 16.63 -5.5 93 93 92 92 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1010 Glycerol-P 17.4917 1747.8 3.1 scans 97% 357 m/z 0.029% 3.14% 1084 0.5 1419 3403030 91223333 91223333 0-0 20: 357 299 73 147 358 315 300 370 445 211 359 103 101 301 129 133 387 256 218 328 1.000 16.97 38.3 96 99 99 99 445 222.2 2.454 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN TAB_REP6-N1048 Citric acid 18.2472 1803.1 2.6 scans 30% 273 m/z 5.5% 0.00756% 1156 1.0 76 18059 219815 219815 1-0 11: 273 363 274 347 375 465 275 211 364 156 231 0.737 18.24 0.3 83 85 52 89 465 12.5 2.750 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4355 1817.4 4.2 scans 89% 73 m/z 0.029% 3.51% 1174 0.5 1293 3350495 102047333 101335081 0-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 66 213 77 90 121 0.939 17.91 39.2 94 99 93 98 327 127.5 0.973 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1012 Phytol 18.5723 1827.9 3.2 scans 95% 68 m/z 0.075% 1.67% 1187 0.5 1001 1330882 1.80% 48773377 45397942 52284225 2-1 20: 68 95 82 123 55 69 57 81 67 83 97 71 96 109 124 111 56 79 110 137 1.000 18.04 39.8 94 98 99 99 278 59.8 0.356 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1016 Hexadecene 18.6312 1832.4 2.9 scans 91% TIC 0.28% 0.239% 1192 1.6 399 346437 5.56% 6958494 6738836 161500163 0-1 0.997 18.10 40.0 83 83 92 97 280 57.9 2.105 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6575 1834.4 2.7 scans 55% 285 m/z 1.8% 0.0359% 1195 1.1 152 55015 0.402% 1045442 885078 11676810 13-1 16: 285 117 132 129 145 286 131 287 118 116 241 300 201 130 257 185 0.999 18.73 -5.3 95 94 82 94 300 15.2 0.998 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1002 Phytol 18.8min 18.8617 1849.9 2.7 scans 94% 81 m/z 0.39% 0.271% 1214 1.1 447 255102 7884278 7587835 1-3 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 124 97 109 53 110 278 111 0.998 18.84 1.6 97 96 99 97 278 51.7 1.339 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BRA4_R~2-N1004 Galactose 19.2720 1881.2 2.7 scans 50% 319 m/z 2.5% 0.0192% 1253 0.9 119 39938 0.0237% 558309 526644 688409 1-1 12: 319 205 160 320 321 206 189 161 229 207 89 157 0.989 19.36 -6.9 92 92 85 93 364 6.7 0.318 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9254 1932.8 2.9 scans 82% 204 m/z (71) 0.31% 0.126% 1315 1.2 282 321931 3668877 3474673 4-1 17: 204 217 205 159 147 206 129 218 103 191 133 189 160 219 203 291 243 0.997 19.91 1.1 95 94 94 99 361 13.3 0.224 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7977 2003.0 3.1 scans 92% TIC 0.24% 0.542% 1398 1.0 606 412708 0.685% 15769139 15351440 19897052 0-2 0.999 20.27 42.8 83 83 94 98 322 39.7 0.429 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1038 C16:0 21.1712 2034.4 3.6 scans 97% 313 m/z 0.024% 3.79% 1434 0.4 1432 4039443 110330650 105795414 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 201 118 57 69 315 74 269 285 1.000 20.62 46.1 94 99 99 100 328 166.3 1.349 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1042 myo-Inositol 21.6700 2076.3 2.7 scans 24% 305 m/z 5.8% 0.00941% 1481 1.0 83 17213 273384 268766 3-0 12: 305 217 318 191 265 319 218 307 432 219 320 192 0.971 21.77 -8.8 84 82 66 91 318 24.7 8.842 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9709 2101.7 3.8 scans 64% TIC 1.5% 0.0664% 1510 0.9 192 65477 0.180% 1930161 1921465 5228423 0-1 0.908 22.33 -31.3 93 96 88 97 342 23.0 1.443 -0.359 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1887 2120.7 3.1 scans 11% 396 m/z 9.2% 0.00417% 1530 1.4 51 10862 0.00554% 121359 121359 160919 0-0 6: 396 219 397 381 398 220 0.812 22.19 0.2 82 84 48 87 396 27.6 29.585 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1040 Phytol 22.6285 2159.1 3.5 scans 89% 143 m/z 0.078% 0.407% 1572 1.1 485 1279382 11827148 11537938 3-1 17: 143 73 75 144 123 81 55 145 124 95 103 82 97 67 74 83 96 0.993 22.08 47.6 80 82 89 96 181 9.3 0.037 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2041 2209.8 7.1 scans 89% 79 m/z 0.038% 9.00% 1627 0.2 1615 2595121 10.4% 261642227 260345135 302086636 0-1 20: 79 75 73 95 67 93 108 80 81 91 107 129 94 121 55 117 149 135 77 122 0.986 23.12 8.0 96 95 97 95 350 117.9 0.533 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1036 C18:0 23.4250 2230.0 2.6 scans 92% 341 m/z 0.074% 0.965% 1648 0.7 856 1347650 28047177 27278049 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 201 343 74 297 116 0.999 22.89 48.2 93 99 98 99 356 110.4 1.663 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1004 Prostaglandin 23.7723 2261.7 2.9 scans 58% 73 m/z (95) 0.72% 0.103% 1681 0.9 272 137985 0.227% 3006226 3006226 6593622 0-0 20: 73 169 231 143 211 156 195 147 182 81 181 183 221 170 235 317 196 232 157 360 0.990 23.76 1.3 93 95 92 95 360 23.4 0.742 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1563 2296.8 3.3 scans 40% 204 m/z (333 117) 0.85% 0.0415% 1717 0.9 154 117052 0.0469% 1207648 1160608 1362295 1-1 14: 204 205 217 147 206 219 338 218 339 361 203 189 291 243 0.951 24.01 13.3 88 92 86 92 490 0.0 0.000 0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1563 2296.8 3.3 scans 44% 204 m/z (117) 0.84% 0.0455% 1717 0.9 161 117778 0.0513% 1322202 1270699 1490100 1-1 14: 204 205 217 147 206 219 338 218 339 361 203 189 291 243 0.918 24.18 -2.3 89 91 89 91 581 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1018 myo-Inositol 25.2264 2398.4 3.2 scans 79% TIC 0.32% 0.261% 1819 1.2 411 305243 0.520% 7582673 7323597 15104332 1-1 0.972 25.21 1.6 96 93 93 100 470 27.5 0.446 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6357 2438.9 3.3 scans 41% 91 m/z 0.71% 0.0411% 1858 1.4 154 139335 0.0544% 1195360 1099504 1580145 4-4 16: 91 117 194 207 92 208 65 115 193 312 104 178 118 51 102 179 0.947 25.61 2.6 96 97 95 97 312 18.3 1.419 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3144 2506.3 3.2 scans 52% 204 m/z 0.61% 0.0777% 1923 1.2 217 163468 0.286% 2257143 1872666 8307382 23-0 10: 204 217 205 147 219 206 218 305 101 189 0.960 25.86 45.6 80 81 87 99 361 8.0 0.000 0.458 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5721 2533.0 2.9 scans 39% 512 m/z (218) 1.1% 0.0573% 1947 0.9 196 84629 1666149 1646154 0-2 17: 512 455 247 513 456 483 514 248 349 263 457 497 484 423 249 235 353 0.953 26.57 -0.1 93 95 85 96 512 63.3 10.378 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 3.0 scans 92% 371 m/z 0.030% 1.60% 1983 0.7 1049 3227147 46550660 44901388 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 103 71 116 75 145 117 101 85 1.000 26.39 57.4 90 98 97 99 459 134.7 1.654 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN LQC1-N1008 Sucrose 27.4339 2622.7 3.0 scans 45% 361 m/z 0.43% 0.122% 2029 1.0 284 231047 3547386 3465337 0-3 11: 361 362 437 363 271 451 438 439 364 452 272 0.933 27.59 -16.8 97 97 89 97 437 52.8 3.462 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8474 2666.9 3.0 scans 65% 161 m/z 0.92% 0.134% 2068 1.2 301 107758 0.365% 3896679 3604843 10602079 1-0 15: 161 109 160 214 205 287 145 286 127 517 186 312 172 385 301 0.988 27.91 -6.5 95 95 96 95 662 13.5 0.200 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0473 2688.2 3.2 scans 35% 161 m/z 3.5% 0.0321% 2087 1.2 150 27926 0.331% 934471 934471 9614488 0-0 14: 161 109 287 517 574 160 301 518 162 182 289 172 214 300 0.947 28.03 1.5 87 87 82 88 574 13.7 0.837 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1030 C18:0-2-glycerol 28.6923 2760.1 >3 scans 82% TIC 0.56% 0.254% 2148 1.1 433 176801 1.20% 7394518 7394518 34856150 0-0 0.997 28.67 2.8 91 90 91 92 457 70.2 2.632 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7481 2766.4 3.1 scans 90% TIC 0.050% 1.06% 2154 0.7 816 1976875 1.29% 31052762 29275061 37470362 0-1 0.992 28.19 62.5 88 97 96 99 487 106.9 1.720 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1034 Nonacosane 29.5246 2853.7 3.8 scans 34% 57 m/z 1.3% 0.0378% 2228 1.2 153 73781 0.0432% 1100419 1043356 1254821 2-4 15: 57 71 85 365 56 99 113 70 127 366 364 393 98 58 86 0.968 29.50 2.2 88 90 94 91 408 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8476 2890.1 3.6 scans 50% 57 m/z 0.75% 0.0797% 2258 1.0 207 132994 2317239 2089166 4-3 16: 57 71 85 99 56 70 113 97 84 127 141 140 86 58 112 155 0.996 29.83 2.4 94 93 97 95 408 11.4 0.303 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1042 C20:0-2-glycerol 30.4137 2956.7 3.2 scans 87% 189 m/z 0.18% 0.878% 2312 1.0 739 538269 1.08% 25522597 24547294 31370535 1-0 19: 189 369 129 117 145 188 485 103 57 204 370 75 385 131 55 71 69 83 190 0.994 30.38 3.8 88 81 74 100 485 115.6 2.447 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4411 2960.0 4.2 scans 54% 193 m/z (189) 0.69% 0.194% 2315 1.1 296 143336 5639717 5520142 1-1 11: 193 105 119 163 120 194 515 106 164 92 307 0.954 30.36 9.9 81 84 86 85 529 11.2 0.143 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4863 2965.4 >5 scans 80% TIC 0.24% 0.265% 2319 1.2 384 407365 1.11% 7718897 7370674 32241939 0-1 0.996 30.46 2.8 99 98 99 100 393 84.8 4.889 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2323 3054.0 3.4 scans 83% 57 m/z 0.11% 0.586% 2390 0.9 589 906291 0.639% 17025457 16176880 18560900 2-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 98 155 394 0.995 31.21 2.5 95 92 97 100 393 88.7 2.268 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1048 Hentriacontane 31.5385 3090.3 3.3 scans 82% 57 m/z 0.099% 0.586% 2419 0.8 603 1003232 17029354 16640457 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 82 0.998 31.53 0.8 99 98 100 98 436 34.5 0.328 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6995 3109.4 7.0 scans 17% 204 m/z 1.8% 0.0125% 2434 1.0 109 52769 0.0680% 364622 339916 1975182 0-1 11: 204 597 217 205 73 337 206 103 361 338 598 0.870 31.68 2.8 87 88 78 87 597 15.1 1.938 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8331 3125.3 3.1 scans 75% 502 m/z 0.15% 0.305% 2447 1.0 440 649225 8862481 8515332 1-1 15: 502 237 503 73 236 238 504 277 221 223 239 208 74 505 193 0.989 31.79 4.9 100 99 98 100 502 213.7 23.583 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.7 scans 62% 329 m/z 0.83% 0.245% 2459 1.3 358 119584 7117133 6550657 1-3 16: 329 129 368 353 458 330 107 328 121 369 145 119 105 91 247 159 0.985 31.87 11.2 95 94 94 97 458 53.5 2.231 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1351 3161.2 3.1 scans 68% 57 m/z 0.12% 0.459% 2476 0.9 539 798188 0.502% 13356108 13039374 14581490 2-1 20: 57 71 85 56 421 55 83 69 97 99 70 422 113 420 111 127 141 84 58 393 0.992 32.11 3.0 98 96 99 100 421 123.6 5.257 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1004 Campesterol 32.8117 3241.5 4.0 scans 60% 129 m/z 0.18% 1.09% 2540 0.6 725 531554 31705098 29623224 4-1 20: 129 343 382 367 73 472 95 75 121 107 119 81 145 105 383 344 342 93 109 159 0.749 32.21 71.4 83 96 83 98 472 110.9 2.338 0.602 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1046 Stigmasterol 33.0179 3266.0 3.6 scans 90% 83 m/z 0.10% 1.99% 2560 0.5 1050 996072 57832573 54866711 1-1 20: 83 129 255 55 394 484 69 81 73 133 159 75 119 145 105 355 351 93 107 95 0.995 32.98 4.2 96 94 98 97 665 0.0 0.000 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1168 3277.8 3.1 scans 77% 57 m/z 0.099% 0.585% 2569 0.9 619 1006856 17002737 16344752 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 125 0.989 33.10 2.4 88 85 97 93 515 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN WTF2-N1034 b-Sitosterol 33.4998 3323.3 3.5 scans 78% 129 m/z 0.23% 0.815% 2605 0.7 693 419620 23683075 22812002 2-1 19: 129 357 396 486 381 95 121 119 107 75 57 81 145 358 105 397 356 55 93 0.997 32.88 74.0 84 96 98 99 486 98.9 2.036 0.623 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5956 3334.6 9.2 scans 48% 505 m/z (386) 0.54% 0.329% 2614 1.2 402 182176 0.900% 9564292 9406567 26142113 2-0 19: 505 271 491 361 169 506 223 492 272 103 289 507 362 127 201 493 273 243 363 0.955 33.63 -3.5 96 97 96 99 505 103.0 6.554 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.6029 3335.5 8.1 scans 64% TIC 0.49% 0.536% 2615 2.1 488 200240 1.89% 15575784 15575784 54898437 0-0 0.981 33.57 3.7 96 94 94 99 505 95.2 3.805 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6124 3336.6 3.5 scans 29% 386 m/z (505) 1.1% 0.194% 2616 1.0 319 85190 5658172 5199131 1-8 8: 386 296 387 281 371 213 211 120 0.909 33.58 3.3 90 93 86 96 505 9.2 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9102 3372.0 3.5 scans 16% 441 m/z 1.1% 0.0371% 2644 1.1 142 90221 1080525 1053394 0-1 8: 441 442 308 646 647 443 329 427 0.760 33.80 13.6 90 89 81 94 646 23.0 2.620 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4668 3438.1 4.2 scans 76% 271 m/z 0.26% 0.822% 2697 1.1 631 382380 1.26% 23879625 21987624 36598958 1-0 20: 271 505 73 331 109 361 241 169 506 223 475 127 103 201 272 289 199 217 332 243 0.998 34.59 -14.5 100 99 98 100 596 0.0 0.000 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5341 3446.1 >5 scans 53% 271 m/z (596) 0.60% 0.365% 2704 1.2 421 165978 1.48% 10628631 10628631 42989252 0-0 20: 271 505 331 73 109 506 241 475 103 223 272 127 507 199 289 201 491 243 217 332 0.990 34.52 1.9 95 95 96 99 505 92.2 4.786 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6025 3454.2 4.2 scans 20% 596 m/z 0.47% 0.0837% 2710 1.1 197 211781 0.0845% 2433961 2322776 2454454 0-3 14: 596 597 598 316 302 599 315 356 318 303 330 280 342 370 0.885 34.47 15.5 96 96 75 97 596 122.1 38.236 0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN EXBLK5S-N1006 Contamination 6.3636 1047.8 2.1 scans 66% 207 m/z (89) 0.65% 0.0235% 26 1.4 163 164132 1006278 1004980 0-1 18: 207 295 208 209 296 191 297 279 193 189 210 177 192 247 119 298 265 263 0.984 6.63 -15.5 96 97 92 98 295 51.7 10.087 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1192 Contamination 8.1123 1151.5 2.7 scans 93% TIC 0.11% 0.350% 193 0.7 503 946309 0.387% 14969491 14570422 16547132 0-1 0.967 7.99 7.3 96 96 96 96 235 101.9 4.097 0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1026 Cadaverine NC 8.1218 1152.0 2.6 scans 7.1% 174 m/z (147) 0.61% 0.0255% 193 0.9 139 173897 0.0305% 1091233 951202 1304102 3-1 12: 174 175 216 142 176 217 143 231 218 172 128 122 0.750 7.74 22.8 81 85 46 92 216 39.4 8.030 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1188 Contamination 8.3070 1163.0 2.2 scans 69% 281 m/z 2.1% 0.0106% 211 1.2 108 48985 455553 455230 1-0 12: 281 147 369 282 283 370 207 371 265 148 249 191 0.953 8.41 -6.4 98 97 81 98 369 31.7 8.675 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1186 Phosphate 8.6195 1181.5 2.4 scans 89% 241 m/z 0.48% 0.0323% 241 1.2 177 221815 1384907 1383788 0-1 18: 241 242 133 211 163 243 256 195 135 98 59 89 119 257 164 137 134 121 0.997 8.56 3.5 100 99 96 99 299 0.0 0.000 0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1180 Benzoic acid 9.7548 1248.2 3.6 scans 19% 179 m/z 9.6% 0.00363% 348 0.5 44 11028 0.00429% 155616 123874 183429 2-0 5: 179 105 135 77 180 0.555 9.76 -0.3 93 95 86 95 194 7.5 2.928 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN VEN77_S6-N1002 Glycerol 10.0999 1268.4 5.6 scans 90% 299 m/z 0.012% 3.74% 382 0.2 1251 8422159 159982895 159982895 0-0 20: 299 316 302 303 317 71 57 85 197 318 196 70 180 122 90 99 56 287 127 229 0.996 10.09 0.4 98 97 93 99 299 686.6 30.307 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7239 1305.1 3.5 scans 60% 73 m/z (175) 1.2% 0.0456% 441 0.6 165 83556 0.0700% 1953693 1920346 2993021 4-2 19: 73 117 75 131 132 129 200 118 74 61 116 76 119 72 105 81 96 60 107 0.879 10.73 -0.5 95 97 91 99 209 0.0 0.000 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0522 1324.8 2.9 scans 78% TIC 1.7% 0.0233% 472 0.6 132 60739 0.0390% 998819 963825 1667540 0-4 0.947 11.06 -0.7 98 97 93 98 285 40.1 9.186 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4078 1346.2 5.0 scans 54% 57 m/z (84) 0.67% 0.0763% 506 0.9 175 159490 0.0810% 3263397 2937906 3463353 3-0 14: 57 97 115 145 127 129 69 111 109 128 72 98 201 113 0.975 11.45 -2.3 96 98 97 98 145 51.6 8.722 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4573 1349.2 3.4 scans 96% TIC 0.031% 0.870% 510 0.5 735 3438621 37239980 34005156 5-2 0.993 10.96 30.2 96 97 97 98 161 192.7 6.878 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN TAB_REP6-N1026 Malic acid 13.4691 1473.6 2.7 scans 87% TIC 0.61% 0.0531% 702 0.8 207 173243 0.101% 2272388 2071999 4318502 2-1 0.982 13.53 -4.0 95 94 91 95 335 24.1 1.354 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1146 Malic acid 13.4701 1473.6 2.5 scans 85% 73 m/z 0.61% 0.0453% 702 0.9 204 175259 1939372 1926051 1-0 19: 73 147 233 245 133 189 190 177 148 175 191 335 74 101 234 149 55 265 307 0.946 13.62 -9.2 95 94 91 94 350 0.0 0.000 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9678 1505.2 2.7 scans 22% 156 m/z (139) 3.6% 0.00384% 749 1.1 57 29230 164439 157621 1-1 4: 156 157 258 230 0.987 14.11 -9.5 85 87 78 91 273 0.0 0.000 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6739 1552.0 3.0 scans 81% 174 m/z 0.57% 0.0346% 816 1.1 163 184956 0.0363% 1482091 1355344 1552095 1-0 19: 174 73 175 86 176 250 100 59 91 130 74 251 162 177 87 121 65 172 116 0.988 14.16 33.7 91 93 89 97 250 31.9 3.832 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1044 Dodecanol 14.7243 1555.4 >3 scans 81% TIC 1.1% 0.0238% 821 1.0 139 96948 0.0761% 1020565 969599 3253842 0-2 0.997 14.24 32.0 94 96 94 98 243 73.7 27.981 0.482 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1880 1654.9 2.8 scans 49% 290 m/z (195) 1.1% 0.0165% 960 1.8 109 96389 708524 694028 0-2 9: 290 291 292 158 144 392 393 100 115 0.982 16.28 -6.2 95 97 89 98 392 15.0 1.883 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5415 1679.5 2.8 scans 81% 55 m/z 0.85% 0.0579% 994 1.1 185 124695 0.0645% 2478304 1765876 2757855 7-7 18: 55 83 69 97 56 70 84 111 82 127 98 68 113 140 96 54 67 125 0.978 16.63 -5.9 95 95 93 94 210 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1010 Glycerol-P 17.4769 1746.7 4.3 scans 92% 55 m/z 0.032% 2.32% 1083 0.7 1239 3326197 5.73% 99334631 99334631 245000179 0-0 14: 55 57 71 111 83 70 125 97 84 126 66 238 450 67 1.000 16.97 37.2 96 99 99 99 445 196.6 2.520 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4291 1816.9 4.3 scans 94% TIC 0.030% 2.76% 1173 0.5 1210 3551063 118164126 108953959 1-2 0.984 17.91 38.7 96 99 98 99 327 116.3 0.925 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1012 Phytol 18.5649 1827.3 3.3 scans 97% 68 m/z 0.062% 1.43% 1186 0.6 1005 1697669 1.70% 61397314 60144476 72687662 3-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 70 53 1.000 18.04 39.2 94 98 99 99 278 60.3 0.360 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1016 Hexadecene 18.6259 1832.0 2.5 scans 89% 70 m/z 0.22% 0.189% 1192 0.9 408 469987 1.26% 8122707 7792095 53874385 0-1 20: 70 69 55 57 71 83 56 111 125 97 126 280 84 85 140 67 112 82 98 68 0.996 18.10 39.6 84 84 92 97 280 60.7 2.208 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6480 1833.6 2.7 scans 45% 285 m/z (70) 1.6% 0.0265% 1194 1.0 149 66346 1134696 1052570 2-1 15: 285 117 132 129 145 286 118 287 201 300 241 61 130 257 146 0.952 18.73 -6.1 93 94 82 95 300 14.5 0.947 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8532 1849.3 2.7 scans 94% 81 m/z 0.35% 0.228% 1213 1.0 429 298887 9781752 9364840 1-3 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 97 124 109 110 111 53 56 0.998 18.58 20.9 96 94 98 99 278 49.8 1.349 0.274 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9405 1856.0 2.8 scans 63% 73 m/z 1.5% 0.0217% 1222 0.8 135 70838 0.0342% 929869 882782 1462305 1-1 20: 73 103 307 217 147 308 218 277 133 309 104 189 74 364 205 117 278 148 172 191 0.990 18.40 41.0 92 97 94 97 364 12.6 0.867 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1018 Fructose 19.0594 1865.0 2.9 scans 48% 73 m/z (81) 2.0% 0.0224% 1233 1.4 122 53120 959276 834938 1-2 20: 73 307 103 217 147 308 277 309 218 364 89 262 104 74 205 189 148 219 191 133 0.950 18.52 40.7 85 91 88 96 364 12.2 0.992 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1002 Phytol 18.8min 19.1004 1868.2 2.8 scans 97% TIC 0.16% 0.507% 1237 0.7 638 647431 21685676 21138980 1-1 1.000 18.84 19.9 93 91 98 92 278 87.2 1.866 0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BRA4_R~2-N1004 Galactose 19.2604 1880.3 2.7 scans 79% 73 m/z 0.64% 0.0584% 1252 1.0 225 165584 0.0600% 2497797 2283872 2565447 3-1 20: 73 319 205 160 147 320 217 321 103 206 117 229 74 189 133 161 148 207 157 89 0.990 19.36 -7.8 96 95 94 98 364 14.6 0.422 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1068 Galactopyranose 19.3361 1886.1 2.9 scans 58% 204 m/z 1.6% 0.0228% 1259 1.4 133 64570 0.0576% 976261 929454 2462829 0-2 10: 204 191 205 192 206 218 193 189 219 228 0.897 19.32 1.6 81 78 78 86 435 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9148 1931.9 3.0 scans 88% TIC 0.25% 0.141% 1314 1.4 295 423756 0.150% 6039683 5351946 6413617 3-1 0.989 19.91 0.2 96 93 94 99 361 13.9 0.223 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7892 2002.3 3.0 scans 94% TIC 0.23% 0.425% 1397 1.0 572 458015 0.619% 18210189 18023652 26466860 0-2 0.999 20.27 42.1 82 82 94 97 322 39.5 0.477 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1038 C16:0 21.1627 2033.7 3.8 scans 98% 313 m/z 0.024% 2.98% 1433 0.4 1351 4374184 127455223 127376983 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 201 74 315 116 269 1.000 20.62 45.4 94 99 99 100 328 156.7 1.346 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6604 2075.5 2.8 scans 55% 305 m/z (73) 1.9% 0.0285% 1480 1.1 150 54421 1218816 1113661 9-1 18: 305 217 318 147 191 306 265 319 218 307 432 320 433 219 367 192 291 266 0.992 21.75 -7.4 91 93 90 93 507 8.3 0.310 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9635 2101.0 3.7 scans 63% TIC 1.6% 0.0406% 1509 0.9 168 64188 0.110% 1737099 1737099 4703319 0-0 0.904 22.33 -32.0 93 96 89 98 342 20.7 1.527 -0.367 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1802 2119.9 3.3 scans 15% 396 m/z 8.9% 0.00398% 1530 1.1 52 11882 0.00560% 170491 170491 239442 0-0 8: 396 219 397 381 398 104 220 307 0.824 22.19 -0.6 86 88 67 89 396 25.8 24.347 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3980 2139.0 3.2 scans 25% 204 m/z 3.7% 0.00590% 1550 1.0 64 28827 0.0493% 252549 213504 2107942 4-1 4: 204 249 205 206 0.874 22.71 -27.5 87 91 78 89 518 0.0 0.000 -0.316 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1040 Phytol 22.6158 2158.0 3.3 scans 90% TIC 0.076% 0.314% 1571 1.3 455 1401643 0.397% 13452045 11337887 16974707 7-1 0.999 22.08 46.5 81 82 90 97 181 8.0 0.031 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2019 2209.6 6.9 scans 92% 79 m/z 0.036% 6.57% 1627 0.2 1529 2926739 7.58% 281090484 281082724 324101458 0-1 20: 79 75 73 95 93 67 108 80 91 81 107 94 121 77 55 149 135 335 129 122 0.997 23.12 7.8 95 94 98 94 350 110.2 0.519 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1036 C18:0 23.4197 2229.5 3.1 scans 92% 341 m/z 0.067% 0.895% 1647 0.7 818 1575573 38305659 37131460 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 343 69 201 74 297 116 1.000 22.89 47.7 93 99 98 99 356 106.7 1.700 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1478 2296.1 3.6 scans 25% 204 m/z 0.90% 0.0236% 1717 0.8 128 117691 0.0316% 1009570 979225 1351135 0-5 14: 204 205 217 337 147 206 338 218 191 361 148 203 339 221 0.634 24.18 -3.0 89 92 69 91 581 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1018 myo-Inositol 25.2169 2397.5 3.4 scans 74% TIC 0.39% 0.175% 1818 1.5 353 270319 0.463% 7502247 7439617 19796699 0-1 0.928 25.21 0.7 95 93 92 100 470 24.3 0.471 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6314 2438.5 3.5 scans 42% 91 m/z 0.69% 0.0328% 1858 1.3 144 154891 0.0434% 1405113 1308632 1855673 4-4 16: 91 117 194 207 92 208 115 193 312 65 104 51 118 178 102 63 0.978 25.61 2.2 97 97 96 97 312 17.4 1.458 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5626 2532.0 2.9 scans 34% 512 m/z 1.4% 0.0539% 1946 1.1 207 74330 2305515 2265643 1-0 14: 512 455 247 513 456 514 483 248 349 457 263 497 484 423 0.933 26.57 -1.1 87 85 59 92 512 58.7 8.040 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9425 2571.2 3.1 scans 83% 371 m/z 0.034% 1.09% 1982 0.7 927 3083238 1.30% 47021637 45234549 55584683 2-0 20: 371 372 73 147 129 57 205 203 239 373 459 103 55 71 116 145 75 117 101 85 0.989 26.39 56.6 90 97 97 100 459 115.3 1.555 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1008 Sucrose 27.4286 2622.2 2.9 scans 58% 361 m/z (99 397) 0.15% 0.237% 2028 0.9 429 668469 10145041 9925085 1-2 10: 361 362 437 363 271 451 438 439 452 364 0.988 27.59 -17.3 94 97 94 98 437 78.3 3.339 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN LQC1-N1010 Sucrose 27.4307 2622.4 4.1 scans 61% TIC 0.17% 0.275% 2029 1.8 438 626019 1.04% 11783008 10608860 44467746 2-0 0.942 27.58 -15.8 99 98 94 99 437 77.1 3.102 -0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6138 2641.9 3.7 scans 71% TIC 0.14% 0.325% 2046 0.9 524 719553 1.20% 13898987 13898987 51308938 0-0 0.990 27.64 -3.1 88 86 85 92 632 16.5 0.100 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9189 2674.5 3.0 scans 72% 73 m/z 0.30% 0.260% 2075 0.9 503 346624 0.794% 11143009 11143009 33949414 0-0 20: 73 161 109 57 205 160 145 287 214 147 286 75 517 127 201 312 186 103 172 301 0.973 27.91 1.1 98 97 98 99 662 23.1 0.211 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 28.0010 2683.2 4.4 scans 84% 57 m/z (99) 0.34% 0.381% 2083 1.3 421 306991 1.11% 16298911 16298911 47460768 0-0 20: 57 103 271 100 117 196 270 386 239 69 158 157 268 200 372 274 243 58 373 227 0.979 27.98 2.0 95 96 95 97 662 16.8 0.160 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0431 2687.7 3.0 scans 56% 161 m/z (99) 1.0% 0.0842% 2087 1.3 258 103188 0.839% 3602390 3602390 35873499 0-0 18: 161 109 205 287 83 517 160 574 145 162 127 301 304 347 518 575 172 289 0.968 28.03 1.0 87 87 85 94 574 20.7 0.648 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.3798 2724.9 3.5 scans 77% TIC 0.11% 0.368% 2119 1.6 489 936671 0.615% 15747551 13477745 26295831 0-7 0.977 28.69 -34.5 92 95 95 97 603 17.7 0.131 -0.306 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3798 2724.9 3.1 scans 69% 99 m/z 0.12% 0.358% 2119 0.8 464 857084 0.375% 15314903 12348338 16034043 3-9 18: 99 71 189 173 283 171 103 385 117 145 100 184 185 187 273 287 269 196 0.970 28.41 -3.5 92 91 92 94 603 17.9 0.149 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1030 C18:0-2-glycerol 28.6912 2760.0 3.5 scans 82% TIC 0.18% 0.742% 2148 1.1 693 577921 1.31% 31767835 28581803 56012257 4-0 0.913 28.67 2.7 95 94 87 99 457 109.9 2.515 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7407 2765.5 3.1 scans 88% TIC 0.051% 0.677% 2153 1.0 760 2076652 1.74% 28974639 27443090 74397960 0-2 0.999 28.19 61.6 88 97 97 99 487 98.7 1.693 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1032 Sterol 29.17min 2814 29.1826 2815.3 >7 scans 46% TIC 0.39% 0.0276% 2195 2.4 189 271443 0.189% 1181659 1181659 8081158 0-0 0.967 29.17 1.6 91 92 88 92 355 17.0 0.808 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1034 Nonacosane 29.5140 2852.5 >4 scans 43% TIC 1.1% 0.0120% 2227 1.1 162 95704 0.0947% 515912 515912 4049130 0-0 0.968 29.50 1.0 91 90 96 94 408 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8371 2888.9 >3 scans 58% TIC 0.58% 0.0613% 2257 2.7 227 182131 0.117% 2621651 2382629 5002621 0-4 0.972 29.83 1.2 94 93 98 98 408 13.5 0.352 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1038 Hexacosanol 30.1874 2929.9 3.4 scans 3.0% 439 m/z 10% 0.00154% 2291 1.0 32 10415 0.00329% 65912 65912 140672 0-0 2: 439 440 0.704 30.17 1.8 89 97 46 97 439 24.1 55.674 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1042 C20:0-2-glycerol 30.4168 2957.1 3.5 scans 90% TIC 0.087% 1.50% 2312 0.8 974 1224459 1.66% 64241725 62287569 70977364 1-0 0.968 30.38 4.2 93 88 78 100 485 158.2 2.641 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4810 2964.7 3.9 scans 42% 57 m/z (193) 0.61% 0.0815% 2318 1.2 207 175253 0.244% 3485664 3252068 10432817 0-1 15: 57 71 56 393 85 392 394 99 70 113 127 365 141 58 225 0.984 30.46 2.1 94 95 92 96 393 52.3 6.382 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2323 3054.0 3.0 scans 89% 57 m/z 0.060% 0.732% 2390 0.6 744 1754479 31304161 30312230 1-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 155 421 394 392 0.998 31.21 2.5 98 96 99 99 393 117.9 2.516 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1048 Hentriacontane 31.5364 3090.1 3.1 scans 84% 57 m/z 0.063% 0.685% 2419 0.6 713 1672577 29306916 28493757 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 141 84 98 155 112 169 125 0.993 31.53 0.6 98 97 99 100 436 42.1 0.349 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6889 3108.2 7.3 scans 15% 204 m/z (429) 1.2% 0.0253% 2433 1.6 115 83984 0.167% 1083671 937481 7140494 0-4 8: 204 217 205 597 337 598 129 206 0.899 31.68 1.6 85 89 78 88 597 15.1 1.733 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8268 3124.6 3.0 scans 78% 502 m/z 0.089% 0.355% 2446 0.8 521 1194913 15218331 15058033 2-0 16: 502 237 503 73 236 504 238 57 277 221 223 239 208 74 505 193 0.995 31.79 4.2 100 99 98 99 502 258.6 24.600 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9572 3140.1 3.8 scans 72% TIC 0.43% 0.272% 2459 0.7 459 246590 0.598% 11654524 10931289 25568954 2-0 0.982 31.87 10.7 95 93 94 97 458 67.4 2.158 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1245 3159.9 3.1 scans 59% 57 m/z 0.13% 0.296% 2475 0.9 486 797833 0.458% 12668375 11975024 19582911 3-0 20: 57 71 85 56 421 55 83 69 97 99 70 113 420 422 111 127 84 141 58 125 0.984 32.11 1.7 96 93 98 99 421 111.7 5.290 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN WTF2-N1004 Campesterol 32.7979 3239.9 3.8 scans 49% 343 m/z (57) 0.24% 0.578% 2539 0.8 582 444497 24716091 24092164 1-1 17: 343 129 382 472 367 95 107 344 121 119 383 105 145 342 93 159 255 0.951 32.21 69.8 81 95 83 97 472 93.5 2.584 0.588 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1046 Stigmasterol 33.0094 3265.0 3.4 scans 88% 129 m/z (455) 0.096% 1.57% 2559 0.5 1011 1109397 67522764 65507257 1-0 18: 129 255 55 394 69 484 81 133 159 119 105 145 75 107 93 351 95 355 0.998 32.98 3.2 94 93 97 99 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1157 3277.6 3.1 scans 69% 57 m/z (471) 0.063% 0.766% 2569 0.9 722 1682455 1.00% 32760073 32011028 42757448 0-3 20: 57 71 85 55 69 83 97 113 56 70 127 111 84 141 155 98 112 125 82 126 0.978 33.10 2.2 86 87 96 94 515 8.8 0.015 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5945 3334.5 >5 scans 66% 505 m/z (83) 0.30% 0.588% 2614 1.1 562 347569 2.25% 25144671 24092482 96204259 1-0 19: 505 271 491 361 73 506 169 109 492 103 223 127 507 362 272 201 289 493 243 0.994 33.57 2.7 93 93 94 98 505 133.9 5.689 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5945 3334.5 >5 scans 64% 505 m/z 0.30% 0.481% 2614 1.1 550 354028 1.84% 20578453 19717340 78673705 1-0 19: 505 271 491 361 73 506 169 109 492 103 223 127 507 362 272 201 289 493 243 0.945 33.63 -3.6 94 91 85 99 505 133.8 5.918 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7102 3348.2 3.8 scans 66% 57 m/z (204) 0.30% 0.311% 2625 1.1 483 352981 3.72% 13339087 13339087 159057708 0-0 20: 57 71 56 449 85 461 97 55 450 448 70 462 111 463 84 141 495 125 72 200 0.990 33.69 2.0 94 94 95 98 505 95.0 3.867 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9006 3370.9 3.6 scans 1.7% 441 m/z (99) 2.8% 0.00554% 2643 1.0 59 36921 0.00615% 236894 236894 262958 0-0 7: 441 442 646 308 510 647 443 0.498 33.80 12.5 82 85 50 93 646 13.1 4.887 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4762 3439.2 4.6 scans 83% 271 m/z 0.12% 1.38% 2698 0.8 862 842020 3.04% 59176270 57704948 129982643 1-0 20: 271 331 505 73 109 361 241 223 506 169 127 103 475 201 272 217 289 199 332 243 0.999 34.52 -5.0 100 99 99 100 505 194.4 5.084 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5583 3449.0 4.9 scans 84% 169 m/z (99) 0.10% 2.03% 2706 0.9 922 1042062 2.97% 87216103 79013675 126989621 0-2 16: 169 117 97 110 170 187 98 420 126 297 227 213 174 335 228 503 0.992 34.59 -3.6 97 97 98 99 596 6.8 0.000 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5930 3453.1 4.0 scans 12% 596 m/z (505) 0.37% 0.0733% 2709 0.9 203 287595 3136246 3052890 2-1 11: 596 597 598 316 599 318 600 581 524 523 440 0.893 34.47 14.4 94 97 74 98 596 126.9 39.059 0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN EXBLK5S-N1006 Contamination 6.3679 1048.1 2.1 scans 71% 207 m/z 0.57% 0.0267% 27 1.1 171 183089 1070676 1068713 0-1 16: 207 295 208 209 296 191 297 279 193 189 177 210 247 192 265 263 0.973 6.63 -15.2 97 96 86 97 295 55.9 10.733 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1192 Contamination 7.9704 1143.1 2.3 scans 97% 147 m/z 0.057% 0.554% 179 0.9 728 1846926 22208928 21632843 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 221 0.997 7.99 -1.1 99 98 97 98 235 150.1 4.258 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1026 Cadaverine NC 8.1219 1152.0 2.5 scans 85% 174 m/z 0.62% 0.0300% 193 1.0 161 169483 1205442 1129090 1-2 20: 174 73 175 216 142 86 59 176 100 160 130 217 131 218 143 87 74 158 161 231 0.993 7.74 22.8 96 95 92 98 216 39.5 5.973 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1188 Contamination 8.3008 1162.6 2.4 scans 63% 281 m/z 3.4% 0.00791% 210 1.0 85 30210 317043 304406 2-2 12: 281 147 369 282 283 370 265 207 371 148 249 149 0.950 8.41 -6.8 95 95 77 97 369 25.4 8.994 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1186 Phosphate 8.4954 1174.2 2.2 scans 96% 241 m/z 0.15% 0.0973% 229 1.2 315 662234 3899064 3894568 0-1 19: 241 242 133 211 163 256 243 73 195 135 98 59 89 137 119 212 134 257 181 0.999 8.56 -3.8 100 99 99 100 299 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1180 Benzoic acid 9.6686 1243.2 2.6 scans 23% 179 m/z 6.9% 0.00369% 340 1.2 52 15171 0.00416% 147912 126787 166692 5-2 8: 179 105 135 77 180 51 106 194 0.942 9.76 -5.3 94 95 87 95 194 8.4 2.593 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LACTIC~1-N1034 Glycerol 10.0453 1265.2 4.8 scans 21% 73 m/z (299) 0.052% 0.846% 376 0.3 624 2017311 33927605 32807217 1-1 20: 73 147 205 133 117 103 218 191 206 74 148 75 131 204 59 149 115 129 119 134 0.753 10.11 -3.8 86 88 88 95 293 30.1 0.233 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN VEN77_S6-N1002 Glycerol 10.0485 1265.4 6.4 scans 94% 299 m/z 0.012% 4.52% 377 0.2 1282 8576592 181266805 175712597 1-1 20: 299 227 217 293 183 239 152 164 99 62 169 237 224 65 263 184 174 52 97 81 0.973 10.09 -2.6 99 97 94 98 299 703.1 30.231 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6630 1301.4 2.8 scans 66% 199 m/z 1.0% 0.0548% 435 1.0 209 102409 2197776 2149235 2-1 16: 199 75 117 145 132 200 129 131 67 81 118 76 201 155 72 54 0.743 10.73 -4.2 91 88 85 98 209 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0018 1321.8 2.5 scans 85% 184 m/z 1.2% 0.0300% 467 1.1 167 84526 0.0318% 1204114 1194285 1274235 1-0 19: 184 134 285 73 174 77 86 100 59 185 286 227 172 135 130 186 175 178 110 0.999 11.06 -3.7 98 97 92 98 285 48.0 8.295 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3732 1344.1 3.0 scans 16% 57 m/z (84) 0.42% 0.0787% 503 1.0 219 250258 0.0810% 3156036 2854041 3245694 4-2 19: 57 115 97 145 127 69 129 111 59 128 109 72 58 71 98 87 201 113 95 0.901 11.45 -4.4 95 99 90 98 145 67.1 9.429 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3974 1345.6 2.9 scans 95% 84 m/z 0.034% 0.669% 505 0.7 705 3078164 26807543 26557204 0-4 20: 84 133 162 161 119 92 118 82 85 51 65 130 78 134 117 63 91 77 50 163 0.994 10.96 26.6 96 97 96 98 161 184.5 6.845 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1146 Malic acid 13.4492 1472.3 2.4 scans 92% 73 m/z 0.31% 0.0901% 700 0.9 286 338063 3611311 3566090 2-0 20: 73 147 233 245 189 148 190 133 75 74 175 191 335 149 101 234 55 307 265 217 0.995 13.62 -10.5 98 97 95 97 350 0.0 0.000 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6603 1551.1 2.7 scans 94% TIC 0.13% 0.150% 815 1.2 349 799468 0.205% 6016937 5640783 8214411 3-0 0.996 14.16 32.8 91 91 90 97 250 67.1 3.691 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1044 Dodecanol 14.7118 1554.6 2.8 scans 91% TIC 0.42% 0.0561% 820 1.1 218 249095 0.237% 2250361 2216529 9496660 0-1 0.998 14.24 31.2 97 98 97 99 243 119.8 30.308 0.470 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1754 1654.1 3.0 scans 86% 290 m/z (156) 0.35% 0.0777% 959 1.7 220 298578 3116682 2844195 2-2 15: 290 291 292 392 158 144 131 115 293 393 200 130 100 172 394 0.950 16.28 -7.0 95 95 91 99 392 28.4 1.662 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 2.8 scans 93% 55 m/z 0.28% 0.165% 993 1.2 340 368985 0.180% 6635742 5572441 7212653 9-4 20: 55 73 69 83 97 56 70 57 84 111 82 127 113 98 68 71 140 67 85 96 1.000 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1010 Glycerol-P 17.4770 1746.7 3.2 scans 98% 357 m/z 0.028% 2.57% 1083 0.4 1323 3760237 103012647 100095990 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 387 103 101 256 133 129 328 218 0.999 16.97 37.2 96 99 98 99 445 211.7 2.563 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN TAB_REP6-N1048 Citric acid 18.2283 1801.6 2.6 scans 38% 273 m/z 3.2% 0.0102% 1154 1.0 95 32564 0.0103% 410490 410490 412724 0-0 15: 273 363 274 375 347 211 465 275 257 348 156 364 221 183 376 0.760 18.24 -1.2 92 93 65 95 465 14.9 2.463 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4187 1816.1 4.1 scans 94% TIC 0.029% 2.92% 1172 0.6 1243 3615147 117263477 108589846 1-2 0.981 17.91 37.9 96 99 98 99 327 118.1 0.904 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1012 Phytol 18.5544 1826.5 3.1 scans 97% 68 m/z 0.064% 1.39% 1185 0.5 1001 1626200 1.58% 55737118 54785224 63311067 1-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 56 79 70 85 0.999 18.04 38.4 95 98 99 99 278 59.1 0.349 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1016 Hexadecene 18.6165 1831.2 2.7 scans 90% TIC 0.21% 0.227% 1191 1.2 426 481919 4.38% 9115871 8537486 175507894 0-2 0.996 18.10 38.8 84 83 92 97 280 63.3 2.204 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.8 scans 43% 285 m/z 1.5% 0.0261% 1193 1.0 147 66531 1049146 976961 1-1 13: 285 117 132 286 145 118 287 201 300 116 61 241 130 0.995 18.73 -6.9 94 94 82 94 300 14.7 1.001 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1002 Phytol 18.8min 18.8428 1848.5 2.7 scans 93% 81 m/z 0.37% 0.235% 1212 1.0 422 279372 9447062 8587598 1-10 20: 81 82 95 68 57 123 69 55 67 79 83 71 97 96 124 109 278 111 53 56 0.995 18.84 0.2 97 96 98 97 278 49.8 1.393 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9311 1855.2 2.7 scans 73% 73 m/z 0.91% 0.0401% 1221 0.9 177 114682 0.0481% 1608107 1466185 1927381 10-2 20: 73 103 307 217 147 308 277 218 104 189 133 309 74 205 89 364 117 172 148 191 0.983 18.40 40.2 92 96 95 98 364 16.5 0.875 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1018 Fructose 19.0490 1864.2 2.9 scans 53% 73 m/z 1.3% 0.0261% 1232 1.3 139 76263 0.0627% 1049035 918572 2512408 1-4 20: 73 103 307 217 147 308 277 309 218 89 262 104 205 364 74 219 189 133 148 117 0.969 18.52 39.9 86 91 90 94 364 13.6 0.960 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0900 1867.4 2.9 scans 97% TIC 0.17% 0.525% 1236 0.7 629 609756 21052453 20045577 2-1 1.000 18.58 39.0 92 95 98 99 278 86.5 1.892 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BRA4_R~2-N1004 Galactose 19.2521 1879.7 2.7 scans 79% 73 m/z 0.67% 0.0587% 1251 1.0 220 155886 0.0852% 2355997 2103297 3413989 4-1 20: 73 319 205 160 147 320 217 103 321 206 229 117 161 189 207 74 133 148 157 89 0.993 19.36 -8.4 96 94 94 97 364 14.1 0.407 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1068 Galactopyranose 19.3257 1885.3 2.8 scans 59% 204 m/z 1.5% 0.0225% 1258 1.2 133 68812 0.0375% 902266 868845 1502636 1-4 9: 204 191 206 192 243 193 140 228 305 0.906 19.32 0.8 83 80 83 87 435 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9065 1931.2 2.7 scans 80% 204 m/z 0.22% 0.116% 1313 1.3 300 468025 4682400 4468613 2-2 17: 204 217 205 159 147 206 129 218 103 191 189 133 160 148 305 219 291 0.983 19.91 -0.5 95 93 93 99 361 14.7 0.241 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7820 2001.7 2.9 scans 93% TIC 0.20% 0.497% 1397 0.9 613 513148 0.569% 19940634 18675855 22799998 2-2 0.999 20.27 41.5 82 82 94 98 322 42.0 0.471 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1038 C16:0 21.1544 2033.0 4.0 scans 98% 117 m/z 0.025% 3.16% 1432 0.4 1328 4132791 126828045 125947048 1-0 20: 117 73 75 132 129 145 314 55 131 118 133 57 69 201 315 74 116 130 83 97 1.000 20.62 44.7 94 99 99 100 328 152.8 1.326 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6511 2074.7 2.7 scans 33% 305 m/z 3.0% 0.0154% 1479 1.0 110 34242 618146 584004 4-2 17: 305 217 318 191 306 265 319 218 307 367 432 87 320 433 266 192 219 0.983 21.75 -8.2 90 90 74 90 507 6.0 0.295 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9520 2100.0 3.1 scans 58% 327 m/z 1.5% 0.0423% 1508 1.4 171 67129 0.0495% 1697535 1600089 1983480 5-2 13: 327 117 132 129 328 145 342 329 118 201 283 299 146 0.918 22.33 -33.0 93 96 89 97 342 22.8 1.765 -0.378 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1730 2119.3 3.4 scans 8.7% 396 m/z 12% 0.00233% 1529 1.3 39 8337 0.00323% 93741 93741 129427 0-0 5: 396 219 397 381 398 0.642 22.19 -1.2 81 84 44 86 396 21.9 31.633 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3887 2138.1 2.8 scans 24% 204 m/z 3.9% 0.00503% 1549 1.3 63 26776 201630 176384 2-2 4: 204 249 205 206 0.925 22.71 -28.4 81 82 77 88 518 0.0 0.000 -0.325 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1040 Phytol 22.6096 2157.4 3.5 scans 91% TIC 0.068% 0.390% 1570 1.2 483 1535177 0.439% 15642053 13640568 17590860 6-2 0.997 22.08 45.9 81 82 90 97 181 7.5 0.024 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1042 C18:2 23.0810 2198.6 9.0 scans 58% 337 m/z (73) 0.27% 0.541% 1615 3.7 512 376416 1.54% 21700560 21700560 61708255 0-0 6: 337 338 262 220 234 352 0.993 22.53 47.8 86 93 95 97 352 28.0 0.299 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1968 2209.1 7.7 scans 94% 75 m/z 0.035% 7.90% 1626 0.2 1552 2935808 9.53% 316801347 316801347 381869915 0-0 20: 75 73 67 80 81 129 55 77 117 109 131 78 145 69 66 92 74 65 68 53 0.997 23.12 7.3 96 95 98 95 350 113.4 0.535 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1036 C18:0 23.4093 2228.5 3.0 scans 91% 341 m/z 0.079% 0.782% 1646 0.7 759 1332594 31337731 30478090 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 0.999 22.89 46.7 93 98 98 99 356 99.5 1.720 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7113 2256.1 2.8 scans 37% 163 m/z 0.42% 0.0497% 1675 1.1 197 249366 1991545 1855982 1-10 8: 163 331 164 165 332 88 90 60 0.833 23.72 -0.8 94 95 81 96 331 46.7 5.632 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1004 Prostaglandin 23.7544 2260.1 3.1 scans 43% 169 m/z (95 163) 1.6% 0.0400% 1679 1.3 173 65049 0.0809% 1603483 1603483 3241687 0-0 18: 169 231 143 156 211 195 170 181 182 221 183 360 235 209 232 345 196 317 0.958 23.76 -0.3 82 87 82 87 360 13.8 0.631 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1395 2295.3 3.3 scans 39% 204 m/z 0.66% 0.0402% 1716 0.9 169 158357 0.0531% 1611244 1543843 2127733 1-5 15: 204 205 217 147 337 206 338 219 218 361 191 203 221 189 220 0.768 24.18 -3.8 90 91 84 92 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1395 2295.3 3.3 scans 37% 204 m/z (333 75) 0.66% 0.0427% 1716 0.9 167 157837 0.0564% 1712374 1640743 2259965 1-5 15: 204 205 217 147 337 206 338 219 218 361 191 203 221 189 220 0.910 24.01 11.8 89 93 88 94 490 0.0 0.000 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1018 myo-Inositol 25.2075 2396.6 3.8 scans 67% TIC 0.66% 0.109% 1817 1.5 270 159378 0.337% 4396614 4396614 13503690 0-0 0.953 25.21 -0.2 97 96 91 99 470 18.4 0.468 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6221 2437.5 3.4 scans 45% 91 m/z 0.69% 0.0333% 1857 1.3 146 152285 0.0425% 1334875 1198701 1702988 5-3 16: 91 117 194 207 92 208 115 65 312 193 104 51 178 63 128 102 0.977 25.61 1.2 97 98 95 97 312 18.5 1.598 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5543 2531.1 2.8 scans 52% 512 m/z 0.45% 0.115% 1945 0.9 300 231362 4645189 4374931 1-1 15: 512 455 247 513 456 514 483 248 263 349 457 497 423 484 409 0.951 26.57 -2.0 98 97 90 98 512 100.0 11.074 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9289 2569.8 2.8 scans 86% 371 m/z 0.042% 0.863% 1981 0.8 840 2489468 0.871% 34597425 31873173 34901227 7-3 20: 371 372 73 147 57 129 205 203 239 459 55 373 71 103 116 145 75 101 117 85 0.999 26.39 55.2 90 97 97 100 459 106.2 1.606 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1010 Sucrose 27.4139 2620.6 2.9 scans 57% 361 m/z 0.20% 0.190% 2027 0.9 392 524380 7643578 7090201 1-2 10: 361 362 437 363 271 451 438 439 452 364 0.983 27.58 -17.6 99 98 95 99 437 72.9 3.453 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN LQC1-N1014 Sucrose 27.4139 2620.6 2.9 scans 58% 361 m/z (397) 0.20% 0.204% 2027 0.9 396 524722 8214330 7619632 1-2 10: 361 362 437 363 271 451 438 439 452 364 0.987 27.49 -8.1 97 98 96 99 437 73.0 3.400 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9064 2673.1 2.8 scans 74% 73 m/z 0.37% 0.224% 2074 1.1 452 281467 0.644% 9005160 8287763 25805270 1-0 20: 73 161 109 57 205 287 160 145 214 147 286 517 75 201 83 186 127 312 172 301 0.991 27.91 -0.3 99 98 99 100 662 21.0 0.216 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9779 2680.8 3.6 scans 55% 109 m/z 0.74% 0.0924% 2081 0.9 303 140882 0.578% 3703716 3703716 23160631 0-0 20: 109 73 161 214 160 205 145 286 57 287 147 83 312 186 517 201 172 75 301 162 0.969 27.98 -0.4 98 98 95 97 662 14.5 0.229 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0326 2686.6 2.9 scans 42% 161 m/z 1.4% 0.0524% 2086 0.9 208 73634 0.512% 2102079 2102079 20515991 0-0 16: 161 109 287 205 145 517 160 574 127 201 301 162 182 289 304 288 0.969 28.03 -0.1 93 93 89 94 574 20.0 0.929 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.3936 2726.5 2.7 scans 25% 399 m/z 1.1% 0.0288% 2120 1.0 152 94729 1157081 1040333 1-1 5: 399 400 401 488 489 0.767 28.19 22.6 91 92 65 92 487 23.3 2.335 0.201 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.6787 2758.6 3.0 scans 77% 341 m/z 0.24% 0.435% 2147 1.0 567 425685 0.543% 17468022 17468022 21758170 0-0 15: 341 189 117 145 129 457 188 103 342 357 75 131 458 190 267 0.969 28.67 1.3 93 92 86 95 457 98.3 3.009 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1034 Nonacosane 29.5047 2851.5 >3 scans 46% TIC 0.86% 0.0255% 2226 1.4 184 122440 0.0965% 1023378 795201 3866784 0-4 0.971 29.50 -0.0 96 97 97 96 408 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8308 2888.2 3.2 scans 58% 57 m/z 0.44% 0.100% 2257 0.8 255 236273 4021508 3494517 4-6 14: 57 71 85 99 56 113 70 127 84 141 86 155 112 58 0.990 29.83 0.5 97 96 98 99 408 16.1 0.400 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1038 Hexacosanol 30.1781 2928.8 3.2 scans 5.0% 439 m/z 4.8% 0.00348% 2290 0.9 48 21642 0.00545% 139761 127723 218383 0-1 3: 439 440 441 0.705 30.17 0.7 92 96 47 97 439 35.3 54.419 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1042 C20:0-2-glycerol 30.4011 2955.2 3.1 scans 89% TIC 0.10% 1.14% 2311 1.0 892 968148 1.34% 45698946 44669346 53694196 1-0 0.977 30.38 2.3 90 84 76 100 485 143.8 2.596 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4716 2963.6 3.5 scans 54% 57 m/z 0.36% 0.117% 2318 1.0 277 287649 0.272% 4700169 4069715 10899120 0-2 17: 57 71 85 56 393 55 99 392 83 394 97 70 113 127 141 58 365 0.992 30.46 1.0 98 98 97 98 393 68.2 6.045 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2208 3052.6 3.2 scans 86% 57 m/z 0.070% 0.674% 2389 0.7 691 1495127 27009124 26342327 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 421 98 394 0.998 31.21 1.1 98 96 98 100 393 107.4 2.419 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1048 Hentriacontane 31.5270 3089.0 3.2 scans 84% 57 m/z 0.064% 0.705% 2418 0.7 707 1637935 28283080 27699338 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.998 31.53 -0.5 98 96 99 98 436 41.6 0.346 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6796 3107.1 4.1 scans 19% 204 m/z 1.0% 0.0159% 2432 1.6 130 97606 0.0964% 637814 599690 3862776 0-1 13: 204 217 597 337 205 73 598 191 103 129 338 599 206 0.904 31.68 0.5 90 91 81 90 597 17.6 1.846 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8206 3123.8 2.8 scans 79% 502 m/z 0.085% 0.383% 2446 0.8 546 1227076 15363419 14998041 1-0 16: 502 237 503 73 236 238 504 277 221 223 208 239 74 505 193 235 0.996 31.79 3.4 100 99 99 100 502 266.0 23.696 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9468 3138.8 3.6 scans 70% TIC 0.47% 0.246% 2458 1.0 440 220597 0.365% 9891907 9378335 14625658 2-0 0.990 31.87 9.4 96 95 95 97 458 63.8 2.100 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1173 3159.1 3.7 scans 66% TIC 0.12% 0.306% 2474 0.9 514 844605 0.733% 12292624 12292624 29371526 0-0 0.989 32.11 0.9 96 94 98 99 421 115.1 5.020 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1004 Campesterol 32.7917 3239.2 3.7 scans 58% 129 m/z 0.19% 0.717% 2538 0.6 651 536252 28747758 26679831 4-1 19: 129 343 382 472 367 95 75 344 107 121 145 119 383 105 342 81 159 93 255 0.927 32.21 69.1 83 94 83 96 472 105.2 2.610 0.582 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1046 Stigmasterol 33.0001 3263.9 3.4 scans 88% 83 m/z 0.091% 1.55% 2558 0.5 1028 1147614 62358535 60143575 1-0 20: 83 129 55 255 69 81 394 73 484 75 159 119 133 105 145 93 107 91 97 95 0.994 32.98 2.1 96 94 97 97 665 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1032 3276.1 3.3 scans 72% TIC 0.080% 0.463% 2568 0.7 647 1306282 1.83% 18554184 18466754 73328640 0-1 0.975 33.10 0.7 85 82 96 94 515 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN WTF2-N1034 b-Sitosterol 33.4851 3321.5 3.4 scans 76% 129 m/z 0.19% 0.731% 2604 0.7 720 546229 29327377 27776665 1-1 19: 129 357 396 486 381 95 75 119 121 358 107 397 57 145 81 105 356 159 55 0.996 32.88 72.2 84 96 98 99 486 104.0 2.085 0.608 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5798 3332.8 >4 scans 52% 505 m/z 0.33% 0.352% 2613 1.0 496 317200 1.29% 14142759 13185789 51690681 1-0 19: 505 271 491 361 73 506 169 109 103 223 492 272 201 289 507 362 127 493 147 0.969 33.63 -5.3 98 96 96 100 505 130.3 6.913 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5819 3333.0 9.2 scans 64% TIC 0.29% 0.408% 2613 1.3 546 351281 1.37% 16386568 15291967 54896305 1-0 0.968 33.57 1.2 95 94 92 98 505 131.4 5.789 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5935 3334.4 3.5 scans 15% 386 m/z (505) 1.4% 0.111% 2614 1.0 257 72762 0.148% 4475872 4132882 5930404 4-12 7: 386 296 387 281 379 371 388 0.796 33.58 1.1 86 91 74 92 505 10.8 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7008 3347.1 4.0 scans 42% 505 m/z (204) 0.63% 0.234% 2624 1.1 399 166260 1.51% 9405415 9405415 60506146 0-0 19: 505 271 491 57 361 506 169 109 223 71 492 449 507 56 127 85 272 289 83 0.976 33.69 0.9 95 97 95 99 505 97.9 6.025 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4563 3436.9 3.9 scans 77% 271 m/z 0.11% 1.39% 2696 0.8 894 885950 2.79% 55888426 52574418 111796124 2-0 20: 271 331 505 73 109 361 241 223 169 506 127 475 103 272 217 201 332 289 199 243 0.998 34.52 -7.3 100 99 99 100 505 201.7 5.092 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5247 3445.0 4.3 scans 60% 271 m/z 0.17% 0.737% 2703 0.8 729 588769 2.33% 29552684 29552684 93363788 0-0 20: 271 505 331 73 109 361 241 223 169 506 475 103 127 272 217 201 289 332 199 243 0.976 34.59 -7.6 99 98 98 99 596 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5826 3451.8 3.9 scans 9.7% 596 m/z (271) 0.37% 0.0782% 2708 0.8 206 282363 3135646 2958268 3-2 8: 596 597 598 316 599 302 356 318 0.785 34.47 13.1 94 97 75 99 596 127.6 38.363 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN EXBLK5S-N1006 Contamination 6.3636 1047.8 >3 scans 78% TIC 0.57% 0.0286% 26 2.1 179 183881 0.127% 1196664 1196664 5313375 0-0 0.995 6.63 -15.5 97 96 87 97 295 54.8 9.422 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1192 Contamination 7.9671 1142.9 2.3 scans 97% 147 m/z 0.075% 0.408% 179 0.9 631 1405603 17101402 16895344 4-0 20: 147 73 133 235 220 148 146 59 72 86 74 160 89 75 100 103 149 131 134 236 0.999 7.99 -1.3 98 97 97 97 235 131.1 4.313 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1026 Cadaverine NC 8.1229 1152.1 2.4 scans 87% TIC 0.61% 0.0290% 194 1.0 160 173838 1214443 1073530 1-4 0.993 7.74 22.9 96 95 92 99 216 38.3 5.739 0.387 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1188 Contamination 8.3018 1162.7 2.3 scans 46% 281 m/z 4.5% 0.00525% 211 1.2 72 23160 219965 215380 0-5 10: 281 147 369 282 283 370 207 265 249 371 0.936 8.41 -6.7 94 93 75 96 369 21.6 8.910 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1186 Phosphate 8.4953 1174.2 2.3 scans 90% 241 m/z 0.39% 0.0381% 229 1.2 197 266579 1597978 1513198 1-1 18: 241 242 133 211 243 256 163 135 195 98 59 89 137 119 181 134 164 165 0.999 8.56 -3.8 100 99 97 99 299 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1180 Benzoic acid 9.6707 1243.3 2.5 scans 39% 179 m/z 5.2% 0.00431% 341 1.1 60 20203 180396 178546 0-2 6: 179 105 135 180 194 51 0.793 9.76 -5.2 95 96 89 96 194 9.2 2.352 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN VEN77_S6-N1002 Glycerol 10.0368 1264.7 6.1 scans 93% 299 m/z 0.012% 3.98% 375 0.2 1244 8388096 166815264 163692401 1-1 20: 299 300 314 301 315 211 193 316 225 284 137 195 285 209 121 194 192 151 212 179 0.947 10.09 -3.3 99 98 97 98 299 690.4 30.972 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6650 1301.5 2.7 scans 48% 199 m/z (69 175) 1.0% 0.0409% 435 1.2 180 100668 1711714 1611058 2-1 16: 199 75 117 145 132 200 67 81 79 53 201 76 72 155 153 54 0.931 10.73 -4.1 87 90 83 97 209 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0038 1321.9 2.5 scans 73% 184 m/z 2.8% 0.0136% 467 1.0 111 37295 572203 570542 1-0 15: 184 134 285 174 86 100 286 185 227 59 172 135 186 130 110 0.994 11.06 -3.6 95 94 85 96 285 31.3 7.934 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3773 1344.4 2.8 scans 22% 57 m/z (84) 0.37% 0.0755% 503 0.9 237 281562 0.0825% 3162282 2982690 3451602 0-2 18: 57 97 115 145 127 69 129 111 59 109 128 72 71 98 87 201 113 114 0.943 11.45 -4.1 95 97 96 99 145 69.6 8.657 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4005 1345.8 3.3 scans 94% TIC 0.032% 0.773% 505 0.7 719 3220658 32356361 29763465 2-5 0.993 10.96 26.8 96 96 96 98 161 187.1 6.776 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN TAB_REP6-N1026 Malic acid 13.4522 1472.5 2.5 scans 88% 73 m/z 0.52% 0.0533% 700 1.0 225 201581 2231204 2107178 2-1 19: 73 147 233 245 133 189 190 148 191 74 75 175 149 335 101 55 234 171 59 0.998 13.53 -5.1 96 95 92 96 335 25.3 1.267 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6633 1551.3 2.7 scans 93% TIC 0.16% 0.114% 815 1.3 313 643645 0.213% 4773790 4625667 8911409 4-0 0.996 14.16 33.0 91 91 90 98 250 59.2 3.575 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1044 Dodecanol 14.7159 1554.8 2.8 scans 89% TIC 0.41% 0.0586% 820 1.1 220 254558 0.227% 2451735 2219638 9497135 0-9 1.000 14.24 31.4 97 98 98 99 243 120.3 29.997 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1785 1654.3 2.8 scans 87% 290 m/z (156) 0.33% 0.0723% 959 1.8 223 316595 3025831 2954214 1-1 12: 290 291 292 392 144 131 115 293 393 200 100 172 0.960 16.28 -6.8 96 96 92 99 392 30.0 1.821 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5362 1679.1 2.8 scans 91% 55 m/z 0.29% 0.144% 993 1.2 332 362150 0.156% 6053556 5321515 6526665 9-4 19: 55 69 83 73 56 97 70 57 84 111 82 127 113 98 68 67 140 96 125 0.999 16.63 -6.3 99 98 99 98 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1010 Glycerol-P 17.4801 1746.9 3.2 scans 97% 357 m/z 0.026% 2.53% 1083 0.5 1365 3991233 106015216 105656891 1-0 20: 357 299 73 147 358 315 300 445 370 211 103 359 101 301 133 256 129 387 218 75 0.998 16.97 37.4 96 99 98 99 445 213.7 2.455 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN TAB_REP6-N1048 Citric acid 18.2313 1801.9 2.7 scans 30% 273 m/z 5.5% 0.00555% 1154 1.1 69 18980 232464 217200 1-1 12: 273 347 363 274 375 465 211 156 275 221 231 364 0.721 18.24 -0.9 87 90 57 92 465 12.5 3.277 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.3 scans 94% TIC 0.031% 2.78% 1173 0.5 1198 3418746 116381722 111727655 1-2 0.981 17.91 38.3 95 99 98 99 327 114.4 0.913 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1012 Phytol 18.5607 1827.0 3.3 scans 97% 68 m/z 0.073% 1.31% 1186 0.5 941 1443808 1.46% 55168124 54580832 61082895 1-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 56 79 110 70 0.999 18.04 38.9 94 98 99 99 278 56.1 0.355 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1016 Hexadecene 18.6206 1831.6 2.6 scans 88% 70 m/z 0.24% 0.175% 1191 1.1 400 433002 1.13% 7325644 6693958 47276487 0-1 20: 70 69 57 55 71 83 56 111 125 97 126 280 84 85 140 67 112 82 98 68 1.000 18.10 39.2 84 83 92 97 280 60.8 2.315 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6427 1833.2 2.7 scans 28% 285 m/z 1.6% 0.0260% 1193 1.0 146 64517 1088926 1055114 2-1 17: 285 117 132 129 286 145 287 118 300 131 241 130 257 201 116 146 61 0.987 18.73 -6.5 95 95 82 95 300 15.5 1.130 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.7 scans 92% 81 m/z 0.38% 0.205% 1213 0.9 417 275279 8609135 7891453 1-11 20: 81 82 95 68 57 123 55 69 67 79 83 71 96 97 124 109 53 278 110 111 0.994 18.84 0.7 97 96 99 97 278 48.6 1.362 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9342 1855.5 3.7 scans 63% TIC 1.6% 0.0192% 1221 1.1 122 63013 0.172% 804324 764106 7196067 0-1 0.972 18.40 40.5 89 93 92 95 364 11.1 0.834 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1018 Fructose 18.9342 1855.5 2.9 scans 57% 73 m/z 1.9% 0.0162% 1221 0.8 116 54233 0.0240% 679434 600584 1004102 1-3 19: 73 103 307 217 308 147 277 309 218 104 89 189 205 133 364 74 219 173 148 0.987 18.52 31.2 88 89 91 93 364 11.3 0.958 0.409 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BRA4_R~2-N1004 Galactose 19.2572 1880.1 2.7 scans 65% 319 m/z 1.4% 0.0259% 1252 0.9 148 71732 1085336 1064103 4-0 12: 319 205 160 320 321 206 229 189 161 157 291 207 0.990 19.36 -8.0 94 92 90 96 364 9.0 0.365 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1064 Mannose 19.2572 1880.1 3.1 scans 66% TIC 1.3% 0.0228% 1252 0.9 149 76718 0.373% 956478 956478 15605425 0-0 0.966 19.45 -15.1 92 92 88 92 319 54.5 13.322 -0.198 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1068 Galactopyranose 19.3319 1885.8 2.9 scans 52% 204 m/z 1.8% 0.0200% 1259 1.3 125 58781 0.0359% 840790 784392 1501970 2-8 8: 204 191 206 192 193 189 305 244 0.883 19.32 1.3 82 80 81 86 435 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9117 1931.6 3.1 scans 88% TIC 0.24% 0.146% 1314 1.2 295 431772 0.161% 6142923 4551522 6735853 1-3 0.998 19.91 -0.1 96 93 95 99 361 13.5 0.210 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7861 2002.0 3.0 scans 94% TIC 0.22% 0.420% 1397 1.0 583 470294 0.515% 17586131 17469098 21546364 1-1 1.000 20.27 41.8 82 82 94 98 322 40.1 0.473 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1038 C16:0 21.1617 2033.6 3.6 scans 98% 313 m/z 0.023% 2.91% 1433 0.3 1361 4460232 121973052 119224567 0-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 269 315 116 1.000 20.62 45.3 94 99 99 100 328 157.2 1.335 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6562 2075.1 2.8 scans 41% 305 m/z 2.8% 0.0163% 1480 1.0 116 37194 682944 664507 2-2 18: 305 217 318 191 306 319 265 218 307 432 367 433 219 291 320 192 393 293 0.966 21.75 -7.8 91 91 75 91 507 6.3 0.297 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9561 2100.4 3.0 scans 60% 327 m/z 1.5% 0.0386% 1508 1.8 165 67260 1617856 1545209 4-1 14: 327 117 132 129 145 328 342 329 201 118 116 299 146 343 0.926 22.33 -32.6 94 97 90 98 342 22.3 1.821 -0.374 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3928 2138.5 3.0 scans 20% 204 m/z 4.4% 0.00417% 1550 1.2 58 23811 174848 156510 2-2 4: 204 249 205 206 0.874 22.71 -28.0 86 90 77 89 518 0.0 0.000 -0.321 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1040 Phytol 22.6148 2157.9 3.3 scans 90% 143 m/z 0.070% 0.332% 1571 1.1 473 1500798 0.338% 13930290 12747207 14141109 5-4 20: 143 73 75 144 123 81 57 55 145 124 95 69 71 103 97 82 83 67 96 68 0.998 22.08 46.4 80 81 90 96 181 7.1 0.023 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1945 2208.9 6.9 scans 94% TIC 0.035% 6.89% 1626 0.2 1538 2967159 8.49% 288420463 288420463 355201218 0-0 0.996 23.12 7.1 96 95 98 95 350 112.6 0.536 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1036 C18:0 23.4145 2229.0 2.8 scans 92% 341 m/z 0.065% 0.847% 1647 0.7 838 1613245 35438804 34083547 2-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 1.000 22.89 47.2 93 98 98 99 356 108.8 1.687 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7175 2256.7 2.8 scans 33% 163 m/z 0.45% 0.0502% 1676 1.0 197 233483 2101489 2004271 1-10 8: 163 331 164 165 332 88 90 313 0.824 23.72 -0.2 94 94 82 96 331 45.2 5.265 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1436 2295.7 3.3 scans 31% 204 m/z 0.79% 0.0271% 1716 0.9 139 134248 0.0349% 1137732 1023459 1460132 0-9 13: 204 205 217 337 206 338 219 218 361 339 243 291 192 0.800 24.18 -3.4 88 90 69 90 581 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1436 2295.7 3.3 scans 34% 204 m/z (333) 0.78% 0.0328% 1716 0.9 145 134850 0.0422% 1374607 1236542 1765547 0-9 13: 204 205 217 337 206 338 219 218 361 339 243 291 192 0.982 24.01 12.2 88 90 84 91 490 0.0 0.000 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1018 myo-Inositol 25.2127 2397.1 3.7 scans 65% TIC 0.67% 0.111% 1818 1.7 274 157688 0.363% 4647365 4647365 15187049 0-0 0.916 25.21 0.3 96 94 91 99 470 17.8 0.422 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6325 2438.6 3.6 scans 39% 91 m/z 0.75% 0.0309% 1858 1.3 139 141224 0.0405% 1293508 1202698 1694423 4-4 14: 91 117 194 207 312 115 92 208 65 193 104 102 178 63 0.980 25.61 2.3 96 96 94 96 312 18.4 1.759 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5616 2531.9 2.8 scans 54% 512 m/z 0.45% 0.126% 1946 0.9 322 234675 5290758 5287624 0-1 16: 512 455 247 513 456 514 483 207 248 263 349 457 497 484 423 409 0.957 26.57 -1.2 96 95 83 98 512 102.4 10.095 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9393 2570.9 2.9 scans 85% TIC 0.033% 1.02% 1982 0.9 944 3171084 1.45% 42962617 42921727 60664519 1-0 0.990 26.39 56.3 90 97 97 100 459 118.6 1.584 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1008 Sucrose 27.4223 2621.5 2.9 scans 56% 361 m/z (99) 0.17% 0.221% 2028 0.9 417 610051 9274425 9097238 0-3 10: 361 362 437 363 271 451 438 439 364 452 0.995 27.59 -18.0 96 97 93 98 437 78.7 3.561 -0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1014 Sucrose 27.4223 2621.5 2.9 scans 56% 361 m/z (99) 0.17% 0.221% 2028 0.9 417 612402 9255775 9078944 0-3 10: 361 362 437 363 271 451 438 439 364 452 0.991 27.49 -7.2 97 98 94 99 437 79.0 3.601 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN LQC1-N1010 Sucrose 27.4233 2621.6 3.8 scans 59% TIC 0.17% 0.227% 2028 1.9 430 612488 0.890% 9537825 9537825 37235463 0-0 0.941 27.58 -16.6 99 98 92 99 437 77.9 3.290 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6085 2641.4 4.1 scans 64% TIC 0.20% 0.267% 2045 0.9 455 513609 0.964% 11173802 11173802 40331446 0-0 0.966 27.64 -3.6 88 86 84 92 632 15.6 0.117 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9136 2673.9 2.9 scans 71% 73 m/z 0.33% 0.236% 2074 1.1 474 314330 0.657% 9914692 9914692 27487303 0-0 20: 73 161 109 57 205 160 145 214 287 147 286 75 517 127 201 186 172 312 103 162 0.964 27.91 0.5 99 98 98 99 662 20.6 0.190 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0346 2686.8 >2 scans 49% TIC 0.93% 0.0334% 2086 1.6 245 113830 0.448% 1399342 1399342 18743244 0-0 0.970 28.03 0.1 91 90 84 94 574 20.9 0.729 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3735 2724.2 3.2 scans 72% TIC 0.15% 0.246% 2118 1.7 421 692807 0.469% 10303726 9866703 19621834 0-2 0.963 28.41 -4.2 91 89 89 93 603 14.4 0.118 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6775 2758.4 3.3 scans 15% 71 m/z (341) 0.30% 0.0919% 2147 1.0 267 353134 0.188% 3845071 3845071 7865469 0-0 19: 71 173 171 185 269 170 199 172 157 200 186 243 197 256 272 215 371 315 198 0.779 28.69 -1.0 87 93 70 90 603 8.0 0.090 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.6849 2759.3 3.3 scans 82% TIC 0.20% 0.584% 2148 0.9 655 512415 1.13% 24438159 21561909 47276487 5-0 0.926 28.67 2.0 95 94 87 98 457 105.2 2.579 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7375 2765.2 2.8 scans 88% TIC 0.054% 0.648% 2153 0.8 737 1962332 1.52% 27139685 27066096 63593151 0-1 0.993 28.19 61.3 88 97 95 99 487 96.1 1.700 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1032 Sterol 29.17min 2814 29.1773 2814.7 >6 scans 34% TIC 0.57% 0.0142% 2195 2.4 153 185258 0.128% 596243 596243 5355213 0-0 0.949 29.17 1.0 88 88 85 89 355 13.8 0.818 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1034 Nonacosane 29.5119 2852.3 3.0 scans 35% 57 m/z (204) 1.1% 0.0357% 2226 1.2 157 92180 0.0457% 1495879 1426188 1911978 2-3 14: 57 71 85 365 56 113 70 393 366 84 364 141 58 86 0.948 29.50 0.8 88 90 96 96 408 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8350 2888.6 3.0 scans 54% 57 m/z 0.51% 0.0790% 2257 0.7 237 207072 3307725 2743851 5-6 14: 57 71 85 99 56 113 70 127 84 141 140 155 126 112 0.987 29.83 0.9 96 97 98 98 408 15.9 0.449 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1038 Hexacosanol 30.1811 2929.1 3.2 scans 1.7% 439 m/z 11% 0.000979% 2290 1.0 27 9303 0.00234% 40948 40948 97900 0-0 2: 439 440 0.558 30.17 1.0 85 96 36 95 439 23.0 73.596 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1042 C20:0-2-glycerol 30.4105 2956.4 3.1 scans 88% TIC 0.094% 1.24% 2312 0.9 936 1121966 1.40% 52154459 50064107 58572639 1-0 0.967 30.38 3.5 93 89 79 100 485 154.1 2.710 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4326 2959.0 3.7 scans 39% 193 m/z (189) 0.55% 0.149% 2314 0.9 295 190399 6260914 5740168 2-1 16: 193 105 119 163 120 194 176 91 247 106 307 164 92 529 308 264 0.908 30.36 8.9 83 86 80 87 529 14.0 0.223 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4757 2964.1 3.3 scans 54% 57 m/z 0.41% 0.0936% 2318 1.3 259 257038 0.264% 3917589 3490751 11045126 0-2 18: 57 71 85 56 393 55 99 392 70 394 83 97 113 127 141 365 58 364 0.990 30.46 1.5 97 97 97 97 393 63.9 6.092 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2312 3053.8 2.9 scans 88% 57 m/z 0.064% 0.699% 2390 0.5 725 1645961 29247273 28537297 1-0 20: 57 71 85 99 55 69 393 83 56 97 113 70 127 111 141 84 421 155 394 392 0.998 31.21 2.3 98 96 99 99 393 115.6 2.540 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1048 Hentriacontane 31.5311 3089.4 3.2 scans 85% TIC 0.064% 0.731% 2418 0.6 711 1648161 30607052 27476345 7-2 0.992 31.53 -0.1 98 97 99 99 436 42.9 0.364 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6868 3107.9 6.9 scans 14% 204 m/z (429) 1.2% 0.0224% 2433 0.9 109 83174 0.142% 941105 854404 5940939 0-4 10: 204 217 597 337 205 598 206 338 191 599 0.873 31.68 1.3 84 88 75 87 597 16.6 2.314 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8247 3124.3 2.8 scans 77% 502 m/z 0.094% 0.320% 2446 0.8 513 1119000 13419201 13134316 1-1 16: 502 237 503 73 236 504 238 277 221 239 223 208 74 505 193 222 0.992 31.79 3.9 100 99 98 100 502 252.2 24.161 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9530 3139.6 3.5 scans 66% TIC 0.48% 0.233% 2458 0.8 428 219873 0.456% 9759386 8672291 19077945 2-0 0.960 31.87 10.2 94 94 93 96 458 63.5 2.198 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1224 3159.7 3.2 scans 56% 57 m/z 0.14% 0.268% 2474 0.9 459 710453 0.411% 11250755 11190521 17195253 1-0 20: 57 71 85 56 421 55 69 99 83 97 70 422 420 113 127 111 141 84 58 393 0.986 32.11 1.5 96 94 98 99 421 107.5 5.480 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN WTF2-N1004 Campesterol 32.7979 3239.9 3.6 scans 47% 343 m/z 0.23% 0.530% 2539 0.6 585 446306 22175633 20419155 1-2 16: 343 129 382 472 367 344 383 121 119 107 342 145 105 93 159 91 0.977 32.21 69.8 81 93 81 95 472 96.6 2.729 0.588 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1046 Stigmasterol 32.9989 3263.8 5.0 scans 75% 83 m/z 0.10% 1.42% 2558 0.5 880 1017678 2.48% 59688548 59671792 103757246 1-1 17: 83 84 117 82 85 273 183 140 309 515 244 104 58 274 311 315 516 0.976 32.98 2.0 96 95 97 99 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1136 3277.4 3.7 scans 67% TIC 0.076% 0.597% 2569 1.1 670 1382130 1.64% 24985091 24985091 68613663 0-0 0.880 33.10 2.0 83 81 95 93 515 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5892 3333.9 >4 scans 68% 505 m/z (73) 0.35% 0.524% 2614 1.0 562 300305 2.18% 21935329 21935329 91205967 0-0 18: 505 271 491 361 169 506 109 103 223 492 362 201 507 272 127 289 243 493 0.996 33.57 2.1 93 92 92 98 505 130.6 5.399 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5892 3333.9 >4 scans 54% 505 m/z 0.32% 0.379% 2614 1.0 502 324382 1.58% 15865234 15865234 66103407 0-0 18: 505 271 491 361 169 506 109 103 223 492 362 201 507 272 127 289 243 493 0.930 33.63 -4.2 97 95 93 100 505 129.2 6.612 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6008 3335.2 3.4 scans 14% 386 m/z (505) 1.5% 0.0916% 2615 1.0 242 69647 0.148% 3834570 3527350 6191965 4-5 7: 386 296 387 394 379 371 388 0.810 33.58 1.9 83 89 74 91 505 22.9 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7102 3348.2 4.1 scans 47% 505 m/z (204) 0.44% 0.270% 2625 1.0 436 236946 2.02% 11335758 11335758 84511951 0-0 20: 505 271 491 361 506 109 57 169 223 492 507 103 272 289 127 362 201 71 449 56 0.985 33.69 2.0 95 96 95 99 505 116.0 7.091 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8965 3370.4 3.5 scans 4.5% 441 m/z (99) 1.1% 0.0164% 2643 1.1 104 94178 688065 668767 1-1 6: 441 442 646 308 647 443 0.629 33.80 12.0 89 93 64 95 646 20.4 3.844 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4667 3438.1 4.4 scans 84% 271 m/z (449) 0.13% 1.40% 2697 1.1 827 782157 2.98% 58675673 56543715 124676046 1-0 20: 271 505 331 73 109 361 241 223 506 169 475 127 103 272 201 217 332 199 289 243 0.998 34.52 -6.1 98 99 99 100 505 190.2 5.291 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4667 3438.1 4.4 scans 84% 271 m/z 0.13% 1.32% 2697 1.1 826 775778 2.81% 55236933 53229920 117563654 1-0 20: 271 505 331 73 109 361 241 223 506 169 475 127 103 272 201 217 332 199 289 243 0.998 34.59 -14.5 100 98 98 100 596 0.0 0.000 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\BNWA_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5920 3453.0 3.7 scans 12% 596 m/z (505) 0.36% 0.0678% 2709 1.0 202 287787 2839104 2757273 2-1 8: 596 597 598 316 599 356 600 581 0.784 34.47 14.3 94 97 75 98 596 127.9 40.178 0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 1.8 scans 53% 207 m/z 1.4% 0.0128% 27 1.1 120 68220 364032 334173 1-1 11: 207 295 208 209 296 297 191 279 84 193 189 0.921 6.63 -15.0 93 93 77 93 295 40.8 11.512 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.8508 1076.7 >11 scans 14% 117 m/z (69) 13% 0.00976% 72 0.2 44 7335 0.0198% 277597 277597 563040 0-0 3: 117 147 191 0.871 6.82 1.8 84 89 83 89 295 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1192 Contamination 7.9808 1143.7 2.5 scans 98% 73 m/z 0.061% 0.729% 180 0.8 762 1616047 20756972 20115205 3-1 20: 73 147 133 220 235 148 59 146 72 86 74 75 89 160 103 100 149 131 134 236 1.000 7.99 -0.5 99 98 98 99 235 152.4 4.004 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1026 Cadaverine NC 8.1281 1152.4 2.3 scans 78% 174 m/z 1.7% 0.0120% 194 1.0 105 57682 341311 330985 0-1 12: 174 175 216 86 142 100 59 176 160 217 130 74 0.992 7.74 23.2 94 94 90 95 216 25.6 5.984 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1188 Contamination 8.3102 1163.2 2.4 scans 76% 281 m/z 2.5% 0.0153% 211 1.2 114 38941 0.0160% 437579 420520 454981 1-0 15: 281 147 369 282 283 370 265 148 207 371 249 149 191 251 193 0.894 8.41 -6.2 95 94 73 97 369 32.7 8.190 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1186 Phosphate 8.5090 1175.0 2.2 scans 97% 241 m/z 0.074% 0.302% 230 1.2 525 1350867 8598797 8324102 1-1 20: 241 242 133 73 211 163 243 256 135 195 59 98 89 147 119 137 134 75 121 212 1.000 8.56 -3.0 100 99 99 100 299 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1180 Benzoic acid 9.6728 1243.4 3.3 scans 62% 179 m/z 6.3% 0.00651% 341 0.6 61 15741 0.00818% 185352 183147 232609 3-1 7: 179 105 135 77 180 194 51 0.831 9.76 -5.1 94 95 85 95 194 10.4 2.891 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN VEN77_S6-N1002 Glycerol 10.0495 1265.4 5.6 scans 97% 299 m/z 0.012% 5.19% 377 0.3 1428 8150766 147752665 147727549 1-0 20: 299 73 300 314 301 147 133 205 283 207 315 211 193 191 316 117 103 135 302 74 1.000 10.09 -2.6 97 95 90 99 299 783.0 30.222 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6681 1301.7 3.6 scans 89% TIC 1.3% 0.0845% 435 0.9 217 75630 2404979 2394681 1-0 0.984 10.73 -3.9 89 84 73 99 209 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0028 1321.8 2.8 scans 59% 184 m/z 5.3% 0.00908% 467 1.0 80 18680 0.0110% 258449 246506 312800 7-0 13: 184 134 285 174 77 86 100 59 286 185 172 227 135 0.941 11.06 -3.7 91 91 83 92 285 25.5 10.204 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1162 Fumaric acid 11.2763 1338.3 2.4 scans 38% 245 m/z 8.8% 0.00183% 493 1.0 39 11274 0.00194% 52080 52080 55167 0-0 3: 245 246 143 0.943 11.39 -7.0 88 92 61 91 245 29.1 54.751 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3752 1344.3 3.8 scans 19% 57 m/z (163) 0.46% 0.106% 503 0.8 233 214604 0.110% 3029810 2691882 3127998 3-3 19: 57 115 97 145 127 69 129 59 111 109 128 72 71 87 98 114 201 95 96 0.611 11.45 -4.2 95 99 95 99 145 66.8 8.219 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3952 1345.5 3.0 scans 93% 84 m/z 0.053% 0.574% 505 0.7 618 1867404 16327919 16069724 4-1 20: 84 133 162 161 119 92 85 118 82 51 65 78 130 134 117 63 91 120 52 77 0.991 10.96 26.5 97 97 96 99 161 157.3 6.475 0.439 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1146 Malic acid 13.4607 1473.0 2.5 scans 98% 73 m/z 0.074% 0.453% 701 1.0 615 1343070 12900334 12890361 1-0 20: 73 147 233 245 133 75 189 148 190 74 191 55 175 101 149 335 234 59 217 131 1.000 13.62 -9.8 99 98 98 98 350 13.6 0.049 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2656 1525.0 2.7 scans 55% 263 m/z 1.0% 0.0239% 777 1.0 134 93738 682106 678521 0-1 14: 263 264 278 447 265 279 175 448 91 207 119 247 131 129 0.967 14.33 -4.0 86 81 85 96 278 32.8 5.982 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6633 1551.3 2.8 scans 94% TIC 0.21% 0.134% 815 1.5 313 474146 0.152% 3817993 3732689 4322324 2-0 0.994 14.16 33.0 92 93 91 98 250 57.8 3.413 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1044 Dodecanol 14.7149 1554.8 >4 scans 77% TIC 1.8% 0.0229% 820 0.9 124 53098 0.172% 652461 622366 4891051 0-2 0.997 14.24 31.4 94 96 90 96 243 63.2 25.952 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1880 1654.9 3.0 scans 75% TIC 1.4% 0.0219% 960 1.4 140 70061 0.0959% 623323 623323 2727045 0-0 0.964 16.28 -6.2 82 75 67 97 392 16.7 1.416 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.0 scans 62% TIC 3.9% 0.00680% 993 1.0 92 25591 0.0622% 193446 193446 1768740 0-0 1.000 16.63 -6.5 86 86 88 86 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1010 Glycerol-P 17.4780 1746.8 2.7 scans 98% 357 m/z 0.032% 2.61% 1083 0.5 1375 3045151 74341374 72539597 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 256 103 387 101 129 133 218 328 1.000 16.97 37.3 96 99 98 99 445 214.5 2.437 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN TAB_REP6-N1048 Citric acid 18.2356 1802.2 2.8 scans 72% 273 m/z 1.7% 0.0309% 1155 1.1 149 58757 880919 849966 2-1 17: 273 363 347 274 375 465 275 148 211 305 149 364 257 348 183 221 376 0.979 18.24 -0.6 96 95 90 97 465 20.0 1.803 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.0 scans 87% 73 m/z 0.031% 3.49% 1173 0.4 1315 3195511 99358571 96794253 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 66 213 77 90 121 0.935 17.91 38.3 94 99 93 98 327 127.8 0.945 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1012 Phytol 18.5586 1826.8 3.4 scans 98% 68 m/z 0.070% 1.87% 1185 0.5 1060 1421949 2.05% 53338205 52369744 58294500 1-1 20: 68 95 82 57 69 123 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.7 94 98 99 99 278 60.7 0.328 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1016 Hexadecene 18.6185 1831.4 2.8 scans 91% TIC 0.25% 0.255% 1191 1.2 427 393021 5.63% 7269866 6486764 160096603 0-2 0.981 18.10 39.0 83 82 95 97 280 60.4 2.001 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6438 1833.3 2.7 scans 26% 285 m/z (70) 2.7% 0.0254% 1193 1.1 129 36466 0.828% 723691 661800 23545291 12-0 15: 285 117 132 129 286 145 118 287 61 201 116 300 76 241 130 0.963 18.73 -6.4 93 95 82 95 300 12.3 0.916 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.7 scans 94% 81 m/z 0.38% 0.279% 1213 1.0 468 260947 7952117 7453904 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 56 53 110 278 0.999 18.84 0.7 99 98 100 99 278 52.3 1.246 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1018 Fructose 18.9437 1856.2 2.9 scans 49% 103 m/z 3.6% 0.0128% 1222 1.0 96 27516 0.0344% 366804 346215 978210 0-1 12: 103 307 217 124 277 308 189 218 94 104 205 89 0.973 18.52 31.9 82 85 79 88 364 6.8 0.499 0.419 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0941 1867.7 2.9 scans 96% TIC 0.19% 0.612% 1236 0.8 657 509564 17407419 16740202 1-1 1.000 18.58 39.3 93 95 98 99 278 85.7 1.702 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BRA4_R~2-N1004 Galactose 19.2625 1880.5 2.6 scans 33% 319 m/z 8.5% 0.00566% 1252 0.7 65 11710 0.00634% 161131 161131 180286 0-0 5: 319 205 160 320 206 0.987 19.36 -7.6 86 87 74 87 364 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9096 1931.5 4.2 scans 76% TIC 0.89% 0.0394% 1314 0.7 181 111819 0.122% 1123123 1123123 3469234 0-0 1.000 19.91 -0.2 93 91 93 93 361 7.1 0.154 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7829 2001.8 2.8 scans 94% TIC 0.27% 0.468% 1397 0.8 584 368085 0.516% 13314075 12628687 14673152 1-3 0.999 20.27 41.6 83 84 95 98 322 38.1 0.425 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1038 C16:0 21.1512 2032.7 3.1 scans 98% 313 m/z 0.030% 2.96% 1432 0.5 1370 3311626 84442313 83176521 0-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 269 116 1.000 20.62 44.4 94 99 99 100 328 153.8 1.261 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1042 myo-Inositol 21.6594 2075.4 2.8 scans 21% 305 m/z (73) 10% 0.00516% 1480 1.0 63 9297 146944 146944 0-0 7: 305 318 319 306 218 265 307 0.909 21.77 -9.7 84 88 77 88 318 19.0 9.071 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9540 2100.2 2.9 scans 78% TIC 1.3% 0.0637% 1508 0.9 214 73091 0.147% 1813601 1550617 4180142 0-2 0.981 22.33 -32.8 95 97 95 98 342 25.5 1.421 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1729 2119.3 2.8 scans 27% 396 m/z 6.2% 0.00745% 1529 1.1 74 15937 0.0107% 211841 205626 304269 1-0 9: 396 219 397 381 398 191 307 220 382 0.809 22.19 -1.2 89 90 73 90 396 34.2 21.191 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1819 2207.8 6.5 scans 93% 79 m/z 0.040% 7.97% 1625 0.3 1621 2454578 8.73% 226648410 213229226 248249261 0-8 20: 79 75 73 95 67 93 108 80 81 107 91 129 55 94 121 117 135 77 149 109 0.997 23.12 6.0 96 95 98 95 350 114.3 0.497 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1036 C18:0 23.4071 2228.3 2.8 scans 92% 341 m/z 0.10% 0.828% 1646 0.8 782 992524 23558799 21817379 2-3 20: 341 117 73 75 132 129 145 342 55 57 356 133 69 131 118 74 201 343 116 297 1.000 22.89 46.5 93 99 99 100 356 97.5 1.552 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1018 myo-Inositol 25.2158 2397.4 3.3 scans 78% TIC 0.47% 0.187% 1818 1.2 349 210375 0.363% 5336907 4898696 10322392 1-0 0.974 25.21 0.6 97 95 95 99 470 24.0 0.473 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6167 2437.0 3.1 scans 56% 91 m/z 0.39% 0.0773% 1856 1.3 221 255561 2198189 2029120 2-6 17: 91 117 194 207 92 208 115 65 193 104 312 118 51 178 128 179 116 0.962 25.61 0.7 95 94 96 98 312 24.8 1.257 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3732 2512.4 2.7 scans 57% 204 m/z 0.33% 0.0924% 1928 1.1 289 296124 0.138% 2628164 2605675 3924215 0-1 7: 204 217 205 219 206 218 305 0.983 25.86 51.7 81 83 89 98 361 13.1 0.205 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5595 2531.7 2.8 scans 30% 512 m/z (218) 1.1% 0.0504% 1946 1.0 193 88337 1434276 1434276 0-0 16: 512 455 247 513 456 514 483 263 349 457 423 484 235 409 234 261 0.945 26.57 -1.4 92 93 82 96 512 61.2 10.076 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9320 2570.1 2.9 scans 89% 371 m/z 0.049% 1.01% 1981 0.8 881 2003114 28926632 28913957 0-1 20: 371 372 73 147 57 129 205 203 239 55 71 373 103 459 116 75 101 145 85 117 1.000 26.39 55.5 90 98 98 100 459 106.5 1.466 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1008 Sucrose 27.4233 2621.6 2.8 scans 35% 361 m/z 0.73% 0.0805% 2028 1.0 240 135722 2290506 1922813 1-22 11: 361 362 437 363 271 451 438 439 364 452 272 0.817 27.59 -17.9 97 97 88 97 437 42.4 3.125 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN LQC1-N1010 Sucrose 27.4233 2621.6 2.8 scans 35% 361 m/z (397) 0.74% 0.0871% 2028 1.0 240 134921 2477063 2079422 1-22 11: 361 362 437 363 271 451 438 439 364 452 272 0.935 27.58 -16.6 95 96 92 98 437 42.1 3.073 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8347 2665.5 2.9 scans 49% 161 m/z 1.7% 0.0580% 2067 1.0 215 57514 0.122% 1650173 1582474 3469234 1-1 16: 161 109 160 287 214 286 145 205 517 385 186 127 172 312 162 301 0.968 27.91 -7.9 88 88 90 87 662 8.8 0.167 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.3998 2727.2 2.8 scans 35% 399 m/z 1.5% 0.0406% 2121 1.0 170 65772 1156465 1156465 0-1 5: 399 400 487 401 488 0.795 28.19 23.3 93 95 81 94 487 22.2 1.714 0.207 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6923 2760.1 3.2 scans 94% TIC 0.12% 1.48% 2148 0.9 949 798124 1.99% 42319429 42319429 56588320 0-0 1.000 28.67 2.8 92 90 92 94 457 151.4 2.542 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1034 Nonacosane 29.5098 2852.1 3.0 scans 57% 57 m/z 0.47% 0.114% 2226 0.9 272 209180 3246892 2638553 5-11 18: 57 71 85 55 99 56 365 83 97 70 113 127 84 366 141 393 58 364 0.976 29.50 0.6 98 98 98 99 408 9.4 0.120 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8329 2888.4 2.9 scans 61% 57 m/z 0.50% 0.100% 2257 0.8 258 196176 2863176 2573133 3-4 14: 57 71 85 99 56 113 70 127 84 141 86 112 140 126 0.994 29.83 0.7 97 97 98 96 408 15.1 0.344 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1038 Hexacosanol 30.1801 2929.0 2.7 scans 7.3% 439 m/z 6.2% 0.00382% 2290 0.9 54 15886 108702 108702 1-0 3: 439 440 441 0.853 30.17 0.9 95 97 65 97 439 34.6 40.286 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1042 C20:0-2-glycerol 30.4010 2955.2 3.0 scans 79% 204 m/z 0.12% 1.09% 2311 1.4 870 818433 31176689 27936082 1-8 13: 204 435 217 436 361 437 305 271 244 362 317 363 331 0.865 30.38 2.3 93 88 89 100 485 145.0 2.777 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4768 2964.2 3.1 scans 88% TIC 0.11% 0.441% 2318 1.1 555 837828 1.78% 12541353 12018535 50616688 0-1 0.999 30.46 1.6 99 97 99 100 393 118.8 4.573 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2323 3054.0 3.1 scans 92% 57 m/z 0.047% 1.28% 2390 0.6 931 2100422 36537098 35964961 1-1 20: 57 71 85 55 99 69 83 56 97 113 393 70 127 111 141 84 155 98 82 169 1.000 31.21 2.5 97 95 98 100 393 138.1 2.206 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1048 Hentriacontane 31.5311 3089.4 3.1 scans 86% 57 m/z 0.066% 0.844% 2418 0.7 759 1500821 24020192 22971684 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 125 0.998 31.53 -0.1 99 98 100 98 436 41.5 0.298 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8205 3123.8 2.8 scans 82% 502 m/z 0.10% 0.418% 2446 0.8 561 934789 11897333 11510387 1-1 15: 502 237 503 73 236 238 504 277 221 208 223 239 74 505 193 0.997 31.79 3.4 100 99 98 100 502 265.2 22.370 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9457 3138.7 3.1 scans 69% 329 m/z 0.60% 0.274% 2458 1.0 437 165433 7811038 7381948 1-0 15: 329 129 368 458 353 95 121 107 330 119 145 105 328 369 93 0.993 31.87 9.3 96 95 95 98 458 61.1 1.953 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1256 3160.0 3.0 scans 71% 57 m/z 0.088% 0.633% 2475 0.7 657 1129898 0.700% 18022569 17724777 19905439 2-1 20: 57 71 85 56 421 55 69 99 83 97 70 113 422 420 111 127 84 141 58 155 0.989 32.11 1.8 97 95 99 99 421 143.5 4.775 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1004 Campesterol 32.7885 3238.8 3.7 scans 56% 129 m/z 0.33% 0.496% 2538 0.7 544 301131 0.522% 14123209 13566900 14843770 1-1 19: 129 343 382 472 367 95 75 107 121 145 119 383 105 344 81 342 93 159 91 0.978 32.21 68.7 83 94 83 96 472 82.6 2.307 0.578 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1046 Stigmasterol 32.9989 3263.8 3.2 scans 90% 83 m/z 0.10% 1.72% 2558 0.5 1060 978369 49090706 49090706 0-0 20: 83 129 255 55 394 484 69 81 73 133 159 75 145 119 105 107 95 93 355 351 0.999 32.98 2.0 96 94 98 98 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0989 3275.6 3.1 scans 60% 57 m/z 0.15% 0.364% 2567 1.0 498 652559 0.772% 10363758 9571988 21952856 2-2 20: 57 71 85 55 99 83 69 97 56 70 113 127 84 111 141 98 112 58 72 82 0.985 33.10 0.2 88 88 97 94 515 5.6 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3482 3305.3 3.3 scans 11% 99 m/z 3.3% 0.0279% 2591 0.8 142 30074 0.0346% 794429 794429 983897 0-0 12: 99 437 529 189 199 438 530 287 439 531 452 288 0.857 33.38 -3.6 86 89 72 89 529 26.0 3.322 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN WTF2-N1034 b-Sitosterol 33.4861 3321.6 3.5 scans 75% 129 m/z 0.23% 0.900% 2604 0.7 749 425584 1.24% 25593280 24954316 35261063 2-2 19: 129 357 396 486 381 95 107 119 121 57 358 397 145 105 356 159 93 133 91 0.970 32.88 72.3 84 96 97 99 486 98.2 1.720 0.609 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5818 3333.0 3.2 scans 56% 505 m/z 0.34% 0.424% 2613 1.4 527 293517 0.912% 12063872 11914589 25933943 1-0 17: 505 271 361 491 169 506 109 492 223 127 201 289 272 362 507 243 493 0.805 33.63 -5.1 96 94 92 99 505 124.0 5.539 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5850 3333.4 4.0 scans 62% TIC 0.39% 0.410% 2613 1.6 556 255293 1.94% 11678054 10888184 55166503 2-0 0.949 33.57 1.6 95 94 93 99 505 111.0 3.978 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5924 3334.2 3.2 scans 25% 386 m/z (505) 1.0% 0.211% 2614 1.0 350 94407 0.230% 6022319 5307201 6540359 1-14 7: 386 296 281 387 371 379 394 0.858 33.58 0.9 86 90 79 94 505 11.6 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2258 3409.5 3.5 scans 27% 99 m/z 0.72% 0.0800% 2674 0.9 224 137230 0.0963% 2277489 2182574 2738420 4-1 10: 99 499 361 169 500 362 100 230 451 501 0.926 34.22 0.8 93 94 86 94 499 58.5 6.855 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4710 3438.6 4.3 scans 89% TIC 0.072% 3.30% 2698 0.7 1276 1376384 4.00% 94032996 86559136 113745366 15-0 0.999 34.52 -5.6 100 99 99 100 505 276.7 4.706 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5278 3445.3 >4 scans 48% 271 m/z 0.50% 0.427% 2703 1.6 463 197938 3.02% 12169086 10576281 85877751 0-3 18: 271 505 331 109 241 475 361 169 506 223 103 127 272 289 201 199 507 332 0.932 34.59 -7.3 98 98 87 98 596 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5856 3452.2 3.7 scans 20% 596 m/z 0.40% 0.0936% 2709 0.9 224 245915 0.101% 2663315 2537897 2872070 4-2 13: 596 597 598 316 599 302 318 315 356 303 300 330 286 0.905 34.47 13.5 95 95 76 97 596 136.0 36.921 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN EXBLK5S-N1006 Contamination 6.3667 1048.0 2.1 scans 76% 207 m/z 1.0% 0.0298% 27 1.1 165 97173 852534 851964 0-1 16: 207 295 208 209 296 191 297 279 193 189 61 265 177 192 210 247 0.965 6.63 -15.3 94 93 83 94 295 44.7 7.353 -0.258 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1192 Contamination 7.9923 1144.4 2.6 scans 96% 73 m/z 0.072% 0.655% 181 0.8 681 1378957 18696987 17676100 4-1 20: 73 147 133 220 235 59 148 146 72 86 74 89 103 160 75 149 100 131 134 221 0.997 7.99 0.2 99 98 97 99 235 137.8 4.091 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1188 Contamination 8.3069 1163.0 2.2 scans 83% 281 m/z 1.4% 0.0249% 211 1.2 150 71151 711865 711865 0-0 19: 281 147 369 282 283 370 207 371 148 249 265 149 284 191 266 74 193 251 267 0.944 8.41 -6.4 97 96 77 99 369 42.2 7.913 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1186 Phosphate 8.5163 1175.4 2.2 scans 90% 241 m/z 0.54% 0.0360% 231 1.1 180 182064 1029248 1029248 0-0 19: 241 242 133 211 163 243 256 135 195 98 59 89 164 121 181 137 212 119 257 0.997 8.56 -2.6 99 99 96 99 299 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1180 Benzoic acid 9.6790 1243.8 3.3 scans 42% 179 m/z 7.6% 0.00620% 341 0.6 56 13056 0.00746% 176988 151241 212807 2-0 7: 179 105 135 77 180 194 51 0.790 9.76 -4.7 94 95 86 95 194 10.1 3.258 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN VEN77_S6-N1002 Glycerol 10.0494 1265.4 5.7 scans 97% 299 m/z 0.013% 4.26% 377 0.4 1248 7217181 121806462 120659567 1-0 20: 299 73 300 314 301 133 283 147 207 315 211 193 205 191 316 302 135 74 75 225 1.000 10.09 -2.6 98 97 92 99 299 709.4 32.459 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6712 1301.9 3.2 scans 55% 199 m/z (69 175) 1.2% 0.0546% 436 0.7 175 81904 1558641 1489693 1-1 19: 199 75 117 145 132 200 129 131 81 118 61 79 74 76 201 72 155 95 110 0.949 10.73 -3.7 89 92 85 97 209 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0037 1321.9 2.8 scans 59% TIC 4.4% 0.0123% 467 1.8 89 22429 0.0533% 351152 316393 1520455 0-1 0.789 11.06 -3.6 91 90 81 92 285 26.8 9.098 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1162 Fumaric acid 11.2773 1338.4 2.4 scans 36% 245 m/z 7.2% 0.00197% 493 1.0 41 13799 0.00234% 56380 56380 66752 0-0 3: 245 246 143 0.950 11.39 -6.9 86 90 58 90 245 31.0 58.543 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3762 1344.3 4.0 scans 23% 57 m/z 0.48% 0.0939% 503 0.8 214 205079 0.0976% 2679999 2627423 2784173 3-0 18: 57 97 115 145 127 129 59 109 111 128 72 98 201 114 113 95 110 112 0.895 11.45 -4.2 93 95 88 97 145 65.0 9.213 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1024 Contamination 10.96min 11.3972 1345.6 2.7 scans 90% 84 m/z 0.051% 0.532% 505 0.8 605 1923245 15199110 14722449 3-4 20: 84 133 162 161 119 92 118 82 65 85 51 130 78 134 117 63 91 52 120 77 0.983 10.96 26.6 97 97 96 99 161 154.7 6.544 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1146 Malic acid 13.4585 1472.9 2.5 scans 97% TIC 0.10% 0.362% 701 0.8 515 986109 10330105 10266951 1-0 0.999 13.62 -9.9 100 99 98 99 350 10.5 0.041 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2634 1524.8 2.6 scans 59% 263 m/z 0.83% 0.0303% 777 1.0 150 120079 866794 848314 0-1 15: 263 264 278 447 265 239 342 279 448 175 449 207 128 191 247 0.941 14.33 -4.2 83 77 80 96 278 35.6 5.642 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6633 1551.3 3.3 scans 85% TIC 0.85% 0.0314% 815 1.6 147 116645 0.160% 896273 892209 4564218 1-0 0.990 14.16 33.0 92 94 91 97 250 27.3 3.452 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1044 Dodecanol 14.7169 1554.9 2.6 scans 59% 243 m/z 1.9% 0.0156% 820 1.0 106 52110 446290 438169 0-1 10: 243 244 103 89 97 245 101 111 76 115 0.890 14.24 31.5 93 97 81 97 243 60.3 32.107 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1847 1654.7 2.9 scans 71% 290 m/z 1.3% 0.0305% 960 1.6 128 74400 870554 748016 1-14 8: 290 291 158 392 144 131 115 393 0.975 16.28 -6.4 88 83 75 97 392 16.9 1.740 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5309 1678.7 3.1 scans 59% TIC 3.4% 0.00754% 993 1.1 96 28640 0.0518% 215171 215171 1477666 0-0 1.000 16.63 -6.7 87 87 89 87 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1010 Glycerol-P 17.4600 1745.5 2.5 scans 95% 357 m/z 0.097% 0.760% 1081 0.8 772 1025741 21701673 21172814 1-1 20: 357 299 73 147 358 315 300 445 370 211 103 101 359 301 133 387 129 256 218 131 0.988 16.97 36.0 96 99 98 100 445 120.1 2.419 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN TAB_REP6-N1048 Citric acid 18.2323 1801.9 2.8 scans 83% 273 m/z 0.81% 0.0671% 1154 1.1 209 122126 1915367 1788751 4-1 19: 273 73 147 363 274 347 375 465 275 148 149 364 211 348 74 376 221 305 231 0.982 18.24 -0.9 98 96 93 99 465 27.8 1.763 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4238 1816.5 4.3 scans 94% TIC 0.032% 3.89% 1173 0.5 1297 3113802 111227316 106577312 1-2 0.988 17.91 38.3 96 99 98 100 327 120.8 0.869 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1012 Phytol 18.5575 1826.7 3.4 scans 97% 68 m/z 0.068% 1.90% 1185 0.5 1041 1465575 2.10% 54449014 53205816 59905366 1-0 20: 68 95 82 57 123 69 55 81 67 83 97 71 96 109 124 111 79 56 110 70 1.000 18.04 38.6 94 98 99 99 278 61.0 0.343 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6427 1833.2 2.7 scans 35% 285 m/z 2.1% 0.0297% 1193 1.0 139 46625 849252 809994 7-0 15: 285 117 132 129 286 145 118 287 201 300 61 130 241 116 146 1.000 18.73 -6.5 94 94 82 94 300 13.4 0.931 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8479 1848.9 2.7 scans 93% 81 m/z 0.37% 0.328% 1213 1.0 482 266793 9384097 8582149 1-11 20: 81 82 68 95 57 123 264 55 69 67 83 79 71 96 124 97 109 53 278 56 0.999 18.87 -1.7 96 93 96 98 278 53.4 1.227 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9394 1855.9 3.2 scans 70% TIC 1.3% 0.0326% 1222 1.1 151 73583 0.295% 932578 876467 8415278 0-1 0.990 18.40 40.9 90 94 91 96 364 13.5 0.798 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1018 Fructose 18.9394 1855.9 2.8 scans 66% 73 m/z 1.4% 0.0298% 1222 1.0 146 68785 0.0442% 852716 819160 1260865 2-1 20: 73 103 307 217 147 308 277 218 133 309 104 205 189 364 74 117 89 148 191 173 0.987 18.52 31.6 89 91 91 92 364 13.6 0.864 0.414 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0930 1867.6 2.8 scans 96% 81 m/z 0.18% 0.631% 1236 0.8 654 552015 18014007 17987221 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.2 93 95 98 99 278 85.7 1.716 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BRA4_R~2-N1004 Galactose 19.2603 1880.3 2.8 scans 58% 319 m/z 1.8% 0.0268% 1252 1.0 139 53398 0.0349% 765723 755824 995570 1-1 14: 319 205 160 320 321 206 103 229 161 148 207 157 189 89 0.988 19.36 -7.8 94 94 90 94 364 6.9 0.248 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9106 1931.6 2.8 scans 48% 204 m/z (73 299) 1.3% 0.0246% 1314 1.1 124 75587 704465 642041 2-2 10: 204 217 159 205 206 218 219 191 160 305 0.966 19.91 -0.1 87 91 85 91 361 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7871 2002.1 3.0 scans 95% TIC 0.14% 0.930% 1397 0.8 782 690379 1.02% 26551487 26203210 29096892 1-1 0.998 20.27 41.9 82 82 94 98 322 52.5 0.451 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1038 C16:0 21.1532 2032.9 3.6 scans 97% 313 m/z 0.027% 3.62% 1432 0.4 1377 3605484 103288296 103007779 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 315 74 269 116 1.000 20.62 44.6 94 99 99 100 328 157.0 1.301 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1042 myo-Inositol 21.6593 2075.4 2.8 scans 42% 217 m/z (73) 3.8% 0.0178% 1480 1.0 111 25649 508522 479756 2-2 17: 217 305 318 191 306 265 319 218 307 433 432 219 320 291 367 192 221 0.989 21.77 -9.7 83 82 85 93 318 29.5 7.143 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9539 2100.2 3.1 scans 73% TIC 1.5% 0.0546% 1508 0.9 192 63287 0.179% 1559790 1471904 5106219 0-1 0.970 22.33 -32.8 94 96 93 98 342 22.7 1.396 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN FAME-N1014 C18:0-methyl ester 22.0813 2111.3 2.9 scans 25% 74 m/z 5.4% 0.00717% 1520 1.1 71 18336 204749 191047 1-1 6: 74 87 298 255 199 101 0.723 22.28 -17.0 80 82 73 81 298 15.0 4.513 -0.195 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1728 2119.3 2.9 scans 34% 396 m/z 4.7% 0.0112% 1529 1.1 86 21171 0.0125% 321042 293924 356580 1-0 8: 396 219 397 381 398 220 191 382 0.923 22.19 -1.2 91 92 77 91 396 38.3 19.805 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1040 Phytol 22.6179 2158.2 3.4 scans 93% 143 m/z 0.065% 0.494% 1571 1.0 531 1515651 14101685 13551162 4-1 19: 143 73 75 144 123 81 57 55 145 124 69 95 103 97 82 83 74 67 68 0.999 22.08 46.7 80 82 90 96 181 8.9 0.028 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1042 C18:2 23.0535 2196.2 >5 scans 65% 75 m/z (73) 0.18% 1.19% 1613 0.9 648 542068 8.69% 34108650 31640787 247894110 5-0 20: 75 129 83 201 131 143 126 130 111 155 119 221 146 72 116 59 185 183 215 240 0.978 22.53 45.4 81 87 91 94 352 35.7 0.303 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1913 2208.6 7.1 scans 92% 79 m/z 0.038% 9.06% 1626 0.2 1616 2606953 9.97% 258702898 256108430 284407857 0-1 20: 79 75 95 73 93 67 108 80 81 91 107 94 121 129 55 335 135 77 149 122 0.996 23.12 6.8 96 95 98 95 350 114.1 0.498 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1036 C18:0 23.4049 2228.1 2.6 scans 93% 341 m/z 0.10% 0.736% 1646 0.8 743 979477 21003607 20599876 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 201 74 343 116 297 1.000 22.89 46.3 93 99 99 99 356 93.4 1.583 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7090 2255.9 3.0 scans 9.2% 163 m/z 3.2% 0.00664% 1675 1.1 66 30346 0.00992% 189411 189313 282982 1-0 5: 163 331 164 165 178 0.422 23.72 -1.0 83 87 51 89 331 17.1 6.741 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1436 2295.7 3.4 scans 28% 204 m/z (117 98) 1.9% 0.0197% 1716 0.9 106 51404 0.0301% 564241 557460 858644 1-2 13: 204 205 217 337 206 219 218 338 189 191 229 361 243 0.862 24.18 -3.4 80 86 78 86 581 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1018 myo-Inositol 25.2147 2397.3 3.5 scans 72% TIC 0.52% 0.167% 1818 1.3 312 189146 0.343% 4771417 4771417 9784543 0-0 0.950 25.21 0.5 97 96 94 99 470 20.7 0.439 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6166 2437.0 3.2 scans 46% 91 m/z 0.48% 0.0624% 1856 1.4 189 207252 0.0754% 1782122 1630689 2150888 4-5 16: 91 117 194 207 92 115 208 193 65 312 104 118 51 178 102 179 0.915 25.61 0.7 97 97 96 98 312 22.0 1.364 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5594 2531.7 >3 scans 43% TIC 0.96% 0.0314% 1946 1.1 194 103413 0.224% 895931 895931 6389906 0-0 0.948 26.57 -1.4 93 92 81 94 512 57.3 8.677 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9361 2570.6 2.9 scans 93% 371 m/z 0.036% 1.47% 1982 0.6 984 2766197 41934641 41858489 0-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 145 75 313 101 85 1.000 26.39 56.0 90 98 98 100 459 122.8 1.562 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8368 2665.7 2.8 scans 82% 73 m/z 0.38% 0.291% 2067 1.1 463 262817 8320476 7866557 1-1 20: 73 161 109 57 205 160 145 214 287 147 286 127 201 75 172 517 186 312 103 301 0.998 27.91 -7.7 99 98 99 99 662 19.9 0.185 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9778 2680.8 4.2 scans 56% 109 m/z 1.1% 0.0833% 2081 0.7 254 88909 0.802% 2376580 2376580 22878145 0-0 20: 109 160 205 145 147 517 172 301 75 300 518 55 103 271 247 117 130 302 244 215 0.970 27.98 -0.4 92 91 93 92 662 7.8 0.093 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0367 2687.1 2.9 scans 49% 161 m/z 1.5% 0.0639% 2086 1.1 219 63906 0.658% 1825370 1825370 18770348 0-0 15: 161 109 287 205 145 160 162 182 517 574 172 245 127 288 301 0.952 28.03 0.4 95 95 89 95 574 19.6 0.796 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.3987 2727.1 2.9 scans 39% 399 m/z 1.1% 0.0563% 2121 0.9 189 86305 1608153 1567905 0-1 5: 399 400 487 401 188 0.801 28.19 23.2 93 94 83 94 487 25.3 1.791 0.206 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6827 2759.0 3.1 scans 90% TIC 0.23% 0.748% 2148 1.1 671 418041 1.52% 21356796 20652115 43360074 1-0 0.999 28.67 1.7 93 91 92 95 457 105.2 2.460 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1034 Nonacosane 29.5087 2851.9 3.1 scans 48% 57 m/z 0.93% 0.0485% 2226 1.0 186 107170 0.0541% 1383976 1238069 1543276 3-7 19: 57 71 85 55 99 56 365 83 97 70 113 127 393 366 84 364 98 141 58 0.991 29.50 0.4 94 93 95 94 408 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8317 2888.3 3.1 scans 57% 57 m/z 0.60% 0.0884% 2257 0.8 229 165845 2523409 2131107 3-4 14: 57 71 85 99 56 70 113 127 84 112 141 86 155 58 0.992 29.83 0.6 94 94 98 95 408 13.9 0.367 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1042 C20:0-2-glycerol 30.3957 2954.6 3.7 scans 83% TIC 0.24% 0.782% 2310 1.5 637 404238 1.11% 22323452 21846136 31664265 4-0 0.958 30.38 1.7 90 84 78 100 485 96.8 2.311 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4725 2963.7 2.9 scans 77% 57 m/z 0.16% 0.322% 2318 0.9 454 612716 0.462% 9207068 8359944 13179181 0-2 20: 57 71 85 56 393 55 69 99 83 97 70 113 392 394 127 111 84 141 58 155 0.995 30.46 1.1 99 97 99 100 393 102.1 5.053 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2206 3052.6 3.0 scans 86% 57 m/z 0.075% 0.769% 2389 0.7 702 1329210 21939492 21560943 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 421 98 82 0.978 31.21 1.1 99 97 99 100 393 104.9 2.236 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1048 Hentriacontane 31.5268 3088.9 2.9 scans 85% 57 m/z 0.071% 0.774% 2418 0.7 709 1391479 22086837 21488614 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.997 31.53 -0.6 99 98 100 98 436 40.4 0.325 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6857 3107.8 3.5 scans 23% 204 m/z 1.3% 0.0203% 2433 1.1 137 75504 0.129% 581699 535366 3679901 0-2 16: 204 205 217 597 337 73 129 191 103 598 361 338 147 206 243 219 0.869 31.68 1.2 87 89 82 89 597 17.4 1.605 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8204 3123.8 2.8 scans 82% 502 m/z 0.088% 0.503% 2446 0.8 585 1128149 14356310 13805191 1-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 74 239 505 193 0.995 31.79 3.4 100 99 98 100 502 280.5 22.981 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9477 3138.9 3.2 scans 79% TIC 0.39% 0.392% 2458 0.9 528 253769 0.802% 11192154 10970099 22878145 4-0 0.993 31.87 9.5 96 94 95 98 458 74.7 2.006 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1234 3159.8 3.6 scans 73% TIC 0.10% 0.547% 2475 0.8 598 986707 1.08% 15626471 15626471 30808474 0-0 0.993 32.11 1.6 98 96 99 99 421 130.7 4.775 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1004 Campesterol 32.7958 3239.6 3.7 scans 66% 129 m/z 0.17% 1.04% 2538 0.6 730 558174 1.12% 29941235 29139674 31949529 0-1 19: 129 343 382 472 367 95 75 107 344 121 81 119 145 105 383 342 93 159 91 0.804 32.21 69.5 84 96 84 98 472 112.3 2.371 0.586 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1046 Stigmasterol 33.0010 3264.0 3.6 scans 91% 83 m/z 0.091% 2.17% 2558 0.5 1094 1098781 61964186 60205551 1-0 20: 83 129 55 255 69 394 73 81 484 75 133 159 119 145 95 105 93 107 355 351 0.999 32.98 2.2 97 95 98 99 665 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.0988 3275.6 3.0 scans 70% 57 m/z 0.11% 0.490% 2567 0.8 567 850958 1.04% 14001576 13546857 29667419 2-2 20: 57 71 85 55 99 83 69 97 113 56 70 127 111 84 141 98 112 155 58 72 0.984 33.10 0.2 91 88 96 97 515 17.2 0.093 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3461 3305.0 3.4 scans 8.6% 99 m/z 4.7% 0.0239% 2591 0.6 109 20991 0.0784% 682516 515613 2236467 5-1 11: 99 437 529 189 199 438 530 287 452 439 200 0.703 33.38 -3.9 83 90 64 87 529 22.1 4.087 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN WTF2-N1034 b-Sitosterol 33.4807 3321.0 3.6 scans 77% 129 m/z 0.26% 0.725% 2604 0.7 646 370750 1.28% 20695541 19539284 36513747 1-3 20: 129 357 396 486 73 381 75 107 95 81 119 57 121 145 358 105 55 397 255 356 0.993 32.88 71.7 85 97 98 99 486 88.3 1.869 0.604 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5797 3332.7 3.6 scans 82% 505 m/z (483) 0.26% 0.847% 2613 1.2 654 372280 1.82% 24181931 23305997 51917984 1-0 19: 505 271 73 361 491 169 506 109 103 223 492 127 362 289 507 272 201 243 493 1.000 33.57 0.9 95 94 96 100 505 132.0 4.080 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5797 3332.7 3.6 scans 53% 505 m/z 0.29% 0.496% 2613 1.2 526 339834 1.07% 14169276 13656028 30523210 1-0 19: 505 271 73 361 491 169 506 109 103 223 492 127 362 289 507 272 201 243 493 0.791 33.63 -5.4 97 95 92 99 505 131.9 6.294 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5933 3334.4 3.3 scans 36% 386 m/z 0.61% 0.319% 2614 0.9 438 162211 9109999 8893681 0-4 9: 386 296 281 387 119 371 211 255 120 0.804 33.58 1.1 89 89 80 95 505 10.7 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6986 3346.9 4.0 scans 41% 57 m/z (204 437) 0.91% 0.217% 2624 1.4 309 108814 0.837% 6199682 5118550 23876567 0-5 18: 57 71 505 56 85 491 449 506 223 83 492 127 70 169 97 507 450 99 0.974 33.69 0.7 89 92 88 95 505 64.0 4.290 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8890 3369.5 3.3 scans 23% 441 m/z 0.75% 0.0495% 2642 1.1 167 132292 1412291 1410262 0-1 9: 441 442 308 646 443 647 237 648 425 0.967 33.80 11.1 95 95 86 97 646 27.5 2.701 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4530 3436.5 3.6 scans 80% 271 m/z 0.14% 1.35% 2696 0.9 847 667289 1.99% 38756967 36228117 56767466 2-0 20: 271 331 505 73 109 361 241 169 223 506 127 475 103 217 201 272 199 332 289 243 0.999 34.52 -7.7 100 99 99 100 505 185.2 4.783 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5214 3444.6 4.4 scans 55% 271 m/z 0.48% 0.356% 2702 0.9 474 206034 1.63% 10166481 10166481 46497975 0-0 20: 271 505 331 73 109 361 241 506 223 169 475 103 127 201 272 217 199 289 332 507 0.993 34.59 -8.0 99 98 97 99 596 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5814 3451.7 3.7 scans 26% 596 m/z (505) 0.41% 0.119% 2708 1.0 241 241613 0.123% 3397087 3312050 3508743 5-1 14: 596 597 598 316 302 599 315 318 356 303 342 300 301 286 0.923 34.47 13.0 95 97 87 99 596 129.8 29.039 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 2.5 scans 70% TIC 0.74% 0.0212% 27 1.1 172 134386 0.0993% 730270 730270 3404587 0-0 0.951 6.63 -15.0 97 97 90 97 295 51.6 8.955 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8851 1138.0 4.1 scans 36% 147 m/z 5.7% 0.00308% 171 1.2 56 17395 0.114% 105588 105588 3908589 0-0 5: 147 73 148 66 149 0.928 7.79 5.4 88 89 81 89 219 7.1 1.590 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1192 Contamination 8.0451 1147.5 2.6 scans 94% 73 m/z (96) 0.14% 0.311% 186 0.8 494 709758 10693209 9475412 7-1 20: 73 147 133 220 235 148 59 146 72 86 89 74 160 100 75 149 103 134 131 236 0.998 7.99 3.3 97 98 99 99 235 100.1 4.105 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1026 Cadaverine NC 8.1345 1152.8 2.5 scans 77% 174 m/z 1.7% 0.0127% 195 1.0 107 58417 436541 432945 1-0 12: 174 175 216 86 142 100 59 160 130 217 74 156 0.985 7.74 23.6 94 93 88 97 216 25.6 5.762 0.399 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1188 Contamination 8.3165 1163.6 2.2 scans 75% 281 m/z 1.7% 0.0156% 212 1.0 133 56535 537556 537556 0-0 17: 281 147 369 282 283 370 265 207 148 371 249 191 193 284 266 267 251 0.932 8.41 -5.8 98 97 80 99 369 38.4 8.357 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1186 Phosphate 8.5670 1178.4 2.3 scans 96% 241 m/z 0.11% 0.154% 236 1.1 401 866242 5287325 5287325 0-0 20: 241 242 133 211 73 163 256 243 135 195 98 59 89 147 119 137 134 212 121 257 0.999 8.56 0.4 100 99 99 100 299 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1180 Benzoic acid 9.7181 1246.1 3.4 scans 45% 179 m/z 5.9% 0.00678% 345 0.6 60 16869 0.00865% 232560 179444 296573 8-0 6: 179 105 135 77 180 194 0.969 9.76 -2.4 95 96 88 96 194 9.4 2.422 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN VEN77_S6-N1002 Glycerol 10.0811 1267.3 5.3 scans 96% 299 m/z 0.011% 4.19% 380 0.4 1399 8500011 143977189 143893661 1-0 20: 299 73 300 314 301 133 147 283 207 315 211 193 205 191 316 135 302 74 225 117 0.999 10.09 -0.7 98 97 92 99 299 778.1 31.103 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6998 1303.6 3.3 scans 61% 199 m/z 1.4% 0.0477% 438 0.7 175 70075 1636189 1543133 2-1 17: 199 75 117 145 132 200 129 131 74 118 76 61 201 155 107 96 54 0.758 10.73 -2.0 97 97 92 99 209 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0323 1323.6 3.0 scans 36% 184 m/z 8.2% 0.00516% 470 1.0 63 12124 0.00828% 176902 157668 283887 1-5 8: 184 134 285 174 86 77 59 100 0.730 11.06 -1.9 87 88 76 90 285 19.3 9.436 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1162 Fumaric acid 11.3027 1339.9 2.3 scans 29% 245 m/z 8.8% 0.00129% 496 0.8 37 11254 44515 44515 0-0 2: 245 246 0.979 11.39 -5.4 86 90 60 90 245 28.3 58.935 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3984 1345.7 4.8 scans 37% 57 m/z 0.57% 0.0761% 505 0.6 197 172979 0.0832% 2609859 2478737 2852584 3-1 17: 57 97 115 145 127 129 69 111 59 109 128 72 98 87 114 201 110 0.931 11.45 -2.8 94 96 87 97 145 59.1 9.007 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4226 1347.1 3.1 scans 90% TIC 0.069% 0.418% 507 0.7 528 1448642 0.452% 14361269 11865596 15497213 5-0 0.991 10.96 28.1 96 97 97 98 161 136.4 6.671 0.467 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1146 Malic acid 13.4723 1473.8 2.5 scans 94% 73 m/z 0.18% 0.154% 702 1.0 389 527582 5292524 5163736 1-1 20: 73 147 233 245 133 189 148 190 75 74 175 191 55 101 149 335 234 59 217 307 0.998 13.62 -9.0 99 98 97 98 350 7.5 0.037 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2815 1526.0 2.7 scans 65% 263 m/z 0.68% 0.0294% 779 0.9 161 146178 1011379 979033 1-1 16: 263 264 278 447 265 279 448 175 74 240 247 343 207 149 191 280 0.981 14.33 -3.0 85 79 85 97 278 40.1 6.171 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6802 1552.5 3.1 scans 88% TIC 0.41% 0.0587% 817 1.5 215 242980 0.189% 2014330 2008128 6480029 2-0 0.997 14.16 34.2 92 93 92 97 250 40.5 3.550 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1044 Dodecanol 14.7307 1555.8 >4 scans 81% TIC 1.4% 0.0282% 822 0.8 140 70735 0.0969% 969450 969450 3322301 0-0 0.995 14.24 32.4 93 95 91 97 243 71.0 25.651 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1965 1655.5 3.0 scans 53% 290 m/z (195) 1.1% 0.0217% 961 1.9 122 86557 0.0273% 746812 702015 936004 1-0 14: 290 73 291 292 158 392 144 131 74 115 59 293 393 100 0.984 16.28 -5.6 96 98 91 98 392 16.6 1.859 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5458 1679.8 2.8 scans 73% TIC 1.5% 0.0186% 994 1.1 152 66089 0.0750% 637806 637806 2571440 0-0 0.983 16.63 -5.6 94 94 93 93 210 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1010 Glycerol-P 17.4886 1747.6 2.8 scans 97% 357 m/z 0.032% 2.23% 1084 0.5 1342 3092952 76591451 74601974 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 103 101 256 387 133 129 218 328 1.000 16.97 38.1 96 99 99 99 445 209.7 2.444 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN TAB_REP6-N1048 Citric acid 18.2430 1802.7 2.7 scans 61% 273 m/z 2.0% 0.0229% 1155 1.0 140 47926 788261 788261 0-1 13: 273 274 363 347 375 275 211 465 364 348 257 221 183 0.971 18.24 -0.1 96 95 89 97 465 19.1 1.852 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4303 1817.0 4.1 scans 90% 50 m/z 0.030% 2.93% 1173 0.5 1281 3331631 100686286 98483151 1-0 20: 50 136 62 74 327 78 66 133 213 90 137 277 150 108 106 122 197 94 64 151 0.936 17.91 38.8 94 99 92 98 327 126.9 0.983 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1012 Phytol 18.5660 1827.4 3.0 scans 98% 68 m/z 0.072% 1.32% 1186 0.6 1020 1383805 1.47% 45581084 45581084 50400228 0-0 20: 68 95 82 123 57 69 55 81 67 83 71 97 96 109 124 111 56 79 70 53 1.000 18.04 39.3 94 98 99 99 278 59.4 0.340 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1016 Hexadecene 18.6302 1832.3 2.9 scans 90% TIC 0.30% 0.197% 1192 1.3 392 330821 4.52% 6777380 6569761 154972128 0-1 0.995 18.10 39.9 84 84 93 97 280 56.1 2.050 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6554 1834.2 2.8 scans 61% 285 m/z (70) 1.9% 0.0300% 1195 1.0 152 51754 0.743% 1031401 970197 25474401 4-1 17: 285 117 132 129 286 145 118 131 287 241 300 201 116 257 130 76 61 0.964 18.73 -5.5 94 96 86 96 300 14.6 0.920 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1002 Phytol 18.8min 18.8596 1849.8 2.7 scans 93% 81 m/z 0.43% 0.204% 1214 1.1 426 229215 7020535 6680638 1-3 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 278 56 111 0.997 18.84 1.5 98 97 99 97 278 48.8 1.313 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN BRA4_R~2-N1004 Galactose 19.2710 1881.2 2.7 scans 19% 319 m/z 10% 0.00363% 1253 0.9 56 9168 0.00554% 124616 122735 189944 1-0 6: 319 205 160 320 321 206 0.698 19.36 -6.9 86 88 59 88 364 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9233 1932.6 2.8 scans 82% 204 m/z (332) 0.35% 0.0909% 1315 1.2 269 283680 3119036 2791849 5-2 17: 204 217 159 205 147 206 129 218 103 191 189 219 160 305 203 291 243 0.995 19.91 0.9 95 95 95 99 361 12.8 0.225 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7967 2002.9 2.9 scans 94% TIC 0.21% 0.484% 1398 0.9 646 463467 0.543% 16619606 16350874 18617227 1-1 0.999 20.27 42.7 83 83 94 98 322 42.6 0.435 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1038 C16:0 21.1649 2033.9 3.7 scans 98% 117 m/z 0.028% 2.96% 1433 0.4 1392 3550558 101779739 101779739 0-0 20: 117 73 75 132 129 145 314 55 131 118 133 69 57 74 201 315 116 269 285 83 1.000 20.62 45.6 94 99 99 100 328 156.2 1.261 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6700 2076.3 2.9 scans 29% 305 m/z 5.3% 0.0106% 1481 0.9 93 18716 363798 316921 4-3 14: 305 217 318 191 306 265 319 218 307 432 320 192 219 291 0.936 21.75 -6.6 84 85 67 86 507 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9688 2101.5 3.2 scans 70% TIC 1.3% 0.0538% 1509 1.0 207 72848 0.118% 1844888 1690856 4045733 1-1 0.969 22.33 -31.5 95 97 95 98 342 24.4 1.389 -0.361 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1866 2120.5 3.0 scans 16% 396 m/z 6.5% 0.00616% 1530 1.3 69 15256 0.00767% 211348 203967 262973 1-0 7: 396 219 397 381 398 220 307 0.638 22.19 -0.0 86 88 49 89 396 33.0 22.958 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4044 2139.5 3.1 scans 11% 204 m/z 5.5% 0.00306% 1551 0.9 50 17941 0.0409% 105075 94017 1402292 3-2 4: 204 249 205 206 0.648 22.71 -27.0 82 89 55 86 518 0.0 0.000 -0.310 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1040 Phytol 22.6275 2159.0 3.3 scans 88% 143 m/z 0.079% 0.324% 1572 1.1 483 1254345 11131712 10849066 3-1 17: 143 73 75 144 123 81 55 145 124 95 97 103 82 83 74 96 67 0.996 22.08 47.5 80 82 90 96 181 0.0 0.000 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2020 2209.6 6.5 scans 90% 79 m/z 0.039% 7.23% 1627 0.2 1626 2556184 7.80% 248130667 220035010 267429779 0-9 20: 79 75 73 95 93 108 67 335 80 81 91 107 121 94 149 135 129 77 55 122 0.998 23.12 7.8 96 95 98 95 350 118.1 0.528 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1036 C18:0 23.4187 2229.4 2.8 scans 89% 341 m/z 0.10% 0.647% 1647 0.8 742 973854 22200740 20469496 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 201 343 74 116 130 0.999 22.89 47.6 93 99 98 99 356 95.4 1.653 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7228 2257.2 2.9 scans 9.4% 163 m/z 2.4% 0.00754% 1676 1.2 78 40599 0.00878% 258531 247704 301030 1-3 4: 163 331 165 88 0.461 23.72 0.3 80 84 49 89 331 20.3 6.808 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1574 2296.9 3.4 scans 27% 204 m/z (333) 0.94% 0.0328% 1717 0.8 135 105360 0.0406% 1126298 892460 1392006 1-18 9: 204 205 337 217 206 218 219 338 231 0.933 24.01 13.4 86 89 70 89 490 0.0 0.000 0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1574 2296.9 3.4 scans 28% 204 m/z 0.94% 0.0304% 1717 0.8 137 105425 0.0376% 1044683 827789 1289149 1-18 9: 204 205 337 217 206 218 219 338 231 0.686 24.18 -2.2 87 89 67 89 581 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1012 Androsterone 24.23min 24.2868 2309.1 >3 scans 17% 143 m/z 1.7% 0.00873% 1730 1.2 85 57831 0.0191% 299518 283208 654860 0-1 2: 143 144 0.879 24.23 5.3 83 85 71 83 362 7.5 0.781 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1018 myo-Inositol 25.2264 2398.4 3.4 scans 68% TIC 0.44% 0.152% 1819 1.3 351 225440 0.276% 5221412 5156046 9462900 0-1 0.953 25.21 1.6 97 95 94 100 470 23.7 0.455 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6347 2438.8 3.3 scans 31% 91 m/z 0.62% 0.0383% 1858 1.3 165 160517 0.0467% 1314379 1204695 1601150 5-2 16: 91 117 207 194 208 92 193 115 65 312 104 118 116 51 178 102 0.929 25.61 2.5 94 95 95 97 312 20.2 1.499 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3891 2514.1 3.2 scans 50% 204 m/z 0.23% 0.122% 1930 1.1 334 425530 0.191% 4203410 4198105 6548601 0-1 10: 204 217 205 147 219 206 218 305 101 220 0.975 25.86 53.4 80 84 89 99 361 14.2 0.181 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5711 2532.9 3.0 scans 17% 512 m/z 1.6% 0.0365% 1947 1.0 171 60267 1254380 1254245 0-1 15: 512 455 247 513 456 514 483 349 248 263 457 484 497 423 234 0.925 26.57 -0.2 93 93 77 94 512 62.6 13.469 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9489 2571.9 3.0 scans 85% 371 m/z 0.034% 1.29% 1983 0.7 1025 2923436 44467390 43651033 1-0 19: 371 372 147 57 129 205 203 239 71 373 55 459 103 116 145 85 75 117 101 1.000 26.39 57.3 90 97 97 100 459 125.6 1.507 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1008 Sucrose 27.4329 2622.6 2.9 scans 17% 361 m/z 0.75% 0.0634% 2029 0.9 216 132747 2174244 1823942 1-20 10: 361 362 437 363 438 451 439 452 364 453 0.869 27.59 -16.9 94 94 85 96 437 40.7 3.540 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN LQC1-N1010 Sucrose 27.4371 2623.1 26.7 scans 20% TIC 0.75% 0.0330% 2029 1.3 229 131811 0.402% 1131456 1131456 13782919 0-0 0.727 27.58 -15.1 93 94 84 96 437 38.2 2.789 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1030 C18:0-2-glycerol 28.6955 2760.5 4.0 scans 76% TIC 0.25% 0.417% 2149 1.1 646 397573 1.43% 14306905 14306905 49028793 0-0 0.997 28.67 3.2 92 90 91 94 457 103.5 2.562 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7471 2766.3 3.4 scans 84% TIC 0.055% 0.779% 2154 0.9 798 1791711 1.69% 26718045 26718045 57943119 0-0 0.994 28.19 62.4 88 97 96 99 487 103.3 1.676 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1034 Nonacosane 29.5257 2853.8 3.4 scans 38% 57 m/z 1.0% 0.0391% 2228 1.2 177 98856 0.0412% 1341540 1246252 1412578 2-5 15: 57 71 85 56 365 113 70 97 127 366 393 86 58 98 112 0.982 29.50 2.3 92 93 95 93 408 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8477 2890.1 3.4 scans 49% 57 m/z 0.60% 0.0754% 2258 1.1 230 164123 2586579 2219871 4-2 14: 57 71 85 99 56 70 113 127 84 141 140 155 86 112 0.992 29.83 2.4 95 94 98 95 408 14.3 0.384 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1042 C20:0-2-glycerol 30.4127 2956.6 3.2 scans 74% 189 m/z 0.22% 0.575% 2312 1.1 643 437721 0.608% 19731910 18824695 20845808 1-1 14: 189 129 369 117 145 204 188 485 103 131 370 385 83 190 0.922 30.38 3.7 88 82 80 100 485 101.4 2.482 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4422 2960.1 3.6 scans 53% 193 m/z (189 57) 0.56% 0.188% 2315 1.0 336 175816 6450312 5935072 2-2 14: 193 119 105 163 120 176 194 91 515 247 325 106 307 164 0.960 30.36 10.0 86 90 87 90 529 14.7 0.191 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4874 2965.5 3.3 scans 75% 57 m/z (193) 0.18% 0.286% 2319 1.0 435 533195 0.425% 9815482 8965074 14571494 0-2 20: 57 71 85 56 393 55 99 69 83 97 70 392 113 394 127 111 84 141 58 82 0.989 30.46 2.9 95 95 97 100 393 95.1 4.766 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2418 3055.1 3.1 scans 88% 57 m/z 0.059% 0.887% 2391 0.6 811 1690520 30424572 29446854 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 394 155 421 98 0.998 31.21 3.6 98 96 99 100 393 124.5 2.360 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1048 Hentriacontane 31.5449 3091.1 3.3 scans 83% 57 m/z 0.067% 0.780% 2420 0.6 742 1480231 26744535 26261625 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.996 31.53 1.6 100 99 100 100 436 42.4 0.326 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6985 3109.3 8.0 scans 14% 204 m/z 1.8% 0.00877% 2434 1.6 111 55048 0.0809% 300674 277027 2773727 0-1 10: 204 205 598 597 337 217 191 73 206 361 0.751 31.68 2.7 82 84 72 83 597 14.6 1.742 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8342 3125.4 3.0 scans 79% 502 m/z 0.10% 0.368% 2447 0.9 550 975150 12632433 12632433 0-0 15: 502 237 503 73 236 238 504 277 221 223 208 239 74 505 193 0.996 31.79 5.0 100 99 99 100 502 263.6 22.927 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9626 3140.7 3.5 scans 61% 329 m/z 0.73% 0.231% 2459 1.0 392 136809 7951717 7389260 1-3 12: 329 129 368 458 353 330 328 107 121 145 369 459 0.980 31.87 11.3 94 92 95 97 458 56.8 2.101 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1341 3161.1 3.3 scans 65% 57 m/z 0.11% 0.443% 2476 0.8 570 885907 0.485% 15199522 14855393 16628646 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 111 127 84 141 58 155 0.994 32.11 2.9 98 96 99 99 421 127.1 4.980 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1004 Campesterol 32.8043 3240.7 4.0 scans 51% 129 m/z 0.34% 0.459% 2539 0.8 528 293816 0.693% 15756916 13828715 23760107 1-2 19: 129 343 382 472 367 95 75 344 121 107 119 383 145 342 105 81 159 93 255 0.904 32.21 70.6 83 95 83 97 472 80.9 2.349 0.594 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1046 Stigmasterol 33.0106 3265.1 3.6 scans 89% 83 m/z 0.10% 1.44% 2559 0.6 1007 914548 49411167 47796286 1-1 20: 83 129 55 255 69 394 73 484 81 75 133 159 119 145 95 105 107 93 97 351 0.999 32.98 3.3 97 95 98 99 665 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1137 3277.4 3.2 scans 64% 57 m/z 0.14% 0.336% 2569 0.9 508 690853 0.351% 11551729 10476223 12034340 1-3 20: 57 71 85 55 99 83 69 97 56 113 70 127 84 111 141 98 58 112 155 72 0.981 33.10 2.0 91 89 98 95 515 10.9 0.046 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN WTF2-N1034 b-Sitosterol 33.4998 3323.3 3.7 scans 71% 129 m/z 0.27% 0.708% 2605 0.8 671 358718 0.927% 24280417 21492335 31783001 17-1 19: 129 357 396 486 381 107 95 119 121 145 358 105 57 397 356 159 93 133 91 0.964 32.88 74.0 83 96 97 99 486 88.2 1.729 0.623 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5977 3334.9 3.8 scans 33% 505 m/z (386) 0.51% 0.258% 2615 1.0 399 194734 0.625% 8849276 8844226 21428668 1-0 17: 505 271 491 361 169 506 109 223 492 127 201 272 289 507 362 243 273 0.870 33.63 -3.2 95 97 89 99 505 107.4 7.262 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.6029 3335.5 4.6 scans 44% TIC 0.42% 0.238% 2615 1.3 460 236544 1.18% 8186294 8186294 40457325 0-0 0.709 33.57 3.7 89 92 66 94 505 100.1 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6114 3336.5 3.3 scans 34% 386 m/z (505) 0.87% 0.230% 2616 0.9 387 114374 0.398% 7907352 6997056 13645776 2-14 7: 386 296 281 387 371 213 255 0.944 33.58 3.2 90 91 90 97 505 9.2 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9091 3371.9 3.4 scans 15% 441 m/z 1.0% 0.0320% 2644 1.0 148 93547 1099587 1042107 1-2 8: 441 442 509 646 308 510 443 647 0.910 33.80 13.5 85 82 78 96 646 24.0 2.618 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4752 3439.1 3.7 scans 86% 271 m/z 0.11% 1.56% 2698 0.9 988 875216 1.80% 53690624 50215907 61714564 1-0 20: 271 331 505 73 109 361 241 169 223 506 127 475 103 272 217 201 289 332 199 243 0.999 34.52 -5.1 100 99 99 100 505 219.8 4.947 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5362 3446.3 >4 scans 47% 271 m/z 0.79% 0.151% 2704 1.4 367 126092 1.45% 5187040 5187040 49714510 0-0 20: 271 505 331 109 73 506 475 361 241 223 169 103 272 127 507 201 199 332 243 289 0.982 34.59 -6.3 98 97 96 98 596 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6046 3454.5 3.8 scans 26% 596 m/z 0.45% 0.0839% 2710 1.0 226 221051 2879330 2745648 4-1 16: 596 597 598 316 302 599 318 315 356 303 342 330 370 300 581 304 0.940 34.47 15.8 97 97 86 99 596 125.5 30.740 0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 1.9 scans 75% 207 m/z 0.56% 0.0237% 27 1.0 179 177303 0.0298% 974569 974569 1221661 0-0 18: 207 73 295 208 209 296 191 297 279 177 193 189 247 210 192 263 298 280 0.969 6.63 -15.1 98 98 95 98 295 57.8 10.390 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1192 Contamination 8.0798 1149.5 2.8 scans 95% 147 m/z 0.13% 0.321% 189 0.8 480 752789 0.338% 13167015 11172425 13856429 25-0 20: 147 73 133 220 235 148 59 146 72 86 74 160 103 89 100 149 75 134 131 221 0.995 7.99 5.3 97 96 96 96 235 98.6 4.215 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1026 Cadaverine NC 8.1261 1152.3 >2 scans 72% TIC 1.5% 0.00707% 194 1.8 103 65539 0.273% 289939 289939 11191731 0-0 0.989 7.74 23.1 95 94 90 97 216 25.1 5.911 0.390 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1188 Contamination 8.3092 1163.1 2.3 scans 74% 281 m/z 2.0% 0.0117% 211 1.2 114 49811 481775 444710 1-3 13: 281 147 369 282 283 370 207 265 371 249 148 191 284 0.990 8.41 -6.3 98 97 82 99 369 33.6 8.734 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1186 Phosphate 8.5932 1180.0 2.3 scans 83% 241 m/z 0.82% 0.0169% 238 1.3 135 121443 695601 668011 1-1 18: 241 242 133 211 243 163 256 195 135 98 89 137 119 134 121 212 181 257 0.992 8.56 2.0 99 98 94 98 299 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN VEN77_S6-N1002 Glycerol 10.0926 1268.0 5.5 scans 94% 299 m/z 0.011% 3.88% 381 0.3 1361 8439338 159151508 159029332 1-0 20: 299 300 73 314 301 133 283 147 207 315 211 193 205 191 316 302 135 74 225 75 0.999 10.09 -0.0 98 96 93 98 299 729.7 28.912 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7082 1304.1 3.4 scans 65% 199 m/z 1.1% 0.0446% 439 0.6 173 84509 1829564 1733350 4-1 13: 199 75 145 132 200 129 76 155 201 107 96 157 80 0.879 10.73 -1.5 93 93 86 98 209 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0406 1324.1 3.3 scans 70% TIC 2.4% 0.0174% 471 0.6 114 41570 0.0316% 715440 653298 1295453 0-4 0.896 11.06 -1.4 96 96 89 96 285 35.1 9.508 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3994 1345.7 5.2 scans 58% 57 m/z (84) 0.64% 0.0755% 505 0.7 185 155065 0.0806% 3096387 2816948 3304225 4-1 12: 57 97 115 127 129 69 111 109 59 72 98 96 0.984 11.45 -2.8 96 98 97 98 145 54.2 8.587 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4384 1348.1 3.1 scans 94% TIC 0.044% 0.585% 509 0.5 631 2266750 24015939 21131463 3-4 0.996 10.96 29.1 95 95 96 98 161 164.6 6.796 0.482 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1146 Malic acid 13.4660 1473.4 2.6 scans 89% TIC 0.48% 0.0623% 701 1.0 237 209598 0.130% 2556597 2422310 5329396 2-1 0.990 13.62 -9.4 95 94 91 94 350 0.0 0.000 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN TAB_REP6-N1026 Malic acid 13.4670 1473.4 2.6 scans 85% 73 m/z 0.49% 0.0561% 701 1.2 231 201805 2302342 2295508 2-0 20: 73 147 233 245 133 148 189 190 177 74 149 75 335 175 191 234 101 55 246 59 0.998 13.53 -4.2 96 95 93 95 335 27.6 1.425 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6739 1552.0 3.1 scans 90% TIC 0.32% 0.0625% 816 1.3 231 313668 0.183% 2565376 2478956 7502149 3-0 0.995 14.16 33.7 91 91 90 98 250 44.0 3.647 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1044 Dodecanol 14.7244 1555.4 >3 scans 79% TIC 1.0% 0.0225% 821 1.0 144 92012 0.0942% 925779 915502 3861762 0-1 0.998 14.24 32.0 94 95 93 97 243 76.2 28.103 0.482 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1880 1654.9 2.9 scans 48% 290 m/z (195) 1.0% 0.0167% 960 1.8 113 94582 687603 676100 0-3 8: 290 291 292 158 392 144 115 100 0.976 16.28 -6.2 96 98 92 98 392 16.2 2.054 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5405 1679.4 2.9 scans 81% 55 m/z 0.86% 0.0454% 994 1.1 192 116963 0.0582% 1864462 1704884 2385929 2-5 18: 55 69 83 97 56 70 84 111 82 113 127 98 68 96 67 140 112 54 0.982 16.63 -6.0 94 94 93 94 210 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1010 Glycerol-P 17.4875 1747.5 3.3 scans 98% 357 m/z 0.028% 2.41% 1084 0.4 1344 3513965 98861277 95747113 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 387 301 103 101 256 133 129 328 218 1.000 16.97 38.0 96 99 98 99 445 215.3 2.569 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4292 1816.9 4.3 scans 94% TIC 0.028% 2.85% 1173 0.5 1276 3557977 116977720 108081378 1-3 0.982 17.91 38.7 95 99 98 100 327 123.3 0.936 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1012 Phytol 18.5649 1827.3 3.2 scans 97% 68 m/z 0.060% 1.45% 1186 0.6 1060 1652469 1.73% 59698577 58542872 70921957 3-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 110 70 1.000 18.04 39.2 94 98 99 99 278 63.4 0.358 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1016 Hexadecene 18.6270 1832.0 2.7 scans 91% TIC 0.21% 0.218% 1192 1.2 435 462158 4.39% 8953858 8311407 179969590 0-2 0.996 18.10 39.6 84 85 92 97 280 64.3 2.188 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6491 1833.7 2.8 scans 45% 285 m/z (70) 1.6% 0.0282% 1194 1.0 153 61984 0.323% 1159846 989171 13241498 13-1 15: 285 117 132 129 286 145 118 287 300 201 116 61 257 130 241 0.940 18.73 -6.0 93 95 82 95 300 15.5 1.033 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8532 1849.3 2.7 scans 94% 81 m/z 0.34% 0.230% 1213 1.0 448 289136 9444584 8933757 1-3 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 97 124 109 53 111 110 278 0.995 18.58 20.9 96 94 98 99 278 51.8 1.342 0.274 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9426 1856.1 3.3 scans 64% TIC 1.7% 0.0163% 1222 0.9 127 57954 0.180% 671854 635965 7379163 0-1 0.986 18.40 41.1 88 92 89 94 364 11.2 0.777 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1002 Phytol 18.8min 19.1015 1868.2 2.8 scans 96% 81 m/z 0.15% 0.490% 1237 0.8 666 632956 20088281 19632954 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.84 19.9 93 92 98 93 278 90.2 1.833 0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BRA4_R~2-N1004 Galactose 19.2615 1880.4 2.7 scans 43% 319 m/z 3.0% 0.0104% 1252 0.9 99 32695 0.0208% 429950 420953 852703 0-1 11: 319 205 160 320 206 321 157 229 161 207 89 0.958 19.36 -7.7 90 90 82 91 364 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9170 1932.1 2.9 scans 77% 204 m/z 0.25% 0.108% 1314 1.1 287 399162 4464658 3981721 11-1 18: 204 217 159 205 147 206 129 218 103 189 160 191 133 219 305 148 291 243 0.980 19.91 0.4 96 94 93 98 361 12.8 0.199 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7935 2002.6 3.0 scans 92% 75 m/z 0.16% 0.577% 1398 0.8 701 606780 0.633% 23678403 22298180 25950057 2-3 20: 75 73 79 93 67 95 91 108 129 80 55 117 81 94 307 121 77 107 135 145 1.000 20.27 42.4 82 82 94 98 322 47.8 0.465 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1038 C16:0 21.1628 2033.7 3.5 scans 98% 117 m/z 0.022% 2.95% 1433 0.4 1434 4407424 121293228 121242621 1-0 20: 117 313 73 75 132 129 145 314 55 131 328 118 57 133 69 74 201 116 315 269 1.000 20.62 45.4 94 99 99 100 328 165.4 1.332 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6605 2075.5 2.8 scans 35% 305 m/z 3.3% 0.0154% 1480 1.0 118 30401 632569 582045 3-2 17: 305 217 318 191 306 265 319 218 307 432 255 291 320 219 192 433 367 0.931 21.75 -7.4 87 86 69 88 507 6.2 0.276 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9625 2100.9 3.5 scans 71% TIC 1.1% 0.0503% 1509 0.9 206 85344 0.145% 2062561 2059401 5944326 0-1 0.951 22.33 -32.1 95 97 94 98 342 26.0 1.592 -0.368 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1802 2119.9 3.3 scans 29% 396 m/z 4.0% 0.00971% 1530 1.1 85 24954 0.0113% 398257 398257 463247 0-0 9: 396 219 397 381 398 220 382 307 249 0.878 22.19 -0.6 91 91 76 92 396 39.7 21.693 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3991 2139.0 3.3 scans 25% 204 m/z 3.8% 0.00526% 1550 1.0 66 25937 0.0513% 215730 202556 2103061 3-4 4: 204 249 205 206 0.916 22.71 -27.5 87 90 83 90 518 0.0 0.000 -0.315 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1040 Phytol 22.6180 2158.2 3.3 scans 90% 143 m/z 0.068% 0.339% 1571 1.0 492 1460910 13903734 12467459 4-12 19: 143 73 75 144 123 81 55 57 124 145 69 95 103 82 97 83 67 74 68 0.999 22.08 46.7 81 82 90 96 181 7.2 0.021 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2019 2209.6 6.8 scans 93% 79 m/z 0.033% 6.83% 1627 0.2 1635 2976751 7.79% 280360959 280360959 319353782 0-0 20: 79 75 73 95 93 67 108 80 81 91 107 94 121 129 55 335 77 135 149 122 0.998 23.12 7.8 96 95 98 95 350 117.0 0.512 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1036 C18:0 23.4166 2229.2 2.8 scans 92% 341 m/z 0.067% 0.807% 1647 0.8 856 1498826 33108153 32260540 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 0.999 22.89 47.4 93 99 98 99 356 111.8 1.705 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7186 2256.8 3.0 scans 14% 163 m/z 1.4% 0.0141% 1676 1.1 107 70113 0.0179% 580786 538035 733817 2-1 5: 163 331 165 332 88 0.511 23.72 -0.1 86 89 60 91 331 25.1 5.471 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1500 2296.3 3.5 scans 27% 204 m/z (333) 0.76% 0.0278% 1717 0.8 140 132086 0.0358% 1143692 1113695 1467634 0-5 15: 204 205 217 337 147 206 338 219 218 191 361 203 189 362 291 0.938 24.18 -2.8 86 88 69 88 581 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1018 myo-Inositol 25.2169 2397.5 3.4 scans 74% TIC 0.47% 0.128% 1818 1.3 326 213796 0.401% 5257326 5257326 16439136 0-0 0.972 25.21 0.7 97 95 95 100 470 22.2 0.465 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6304 2438.4 3.8 scans 44% 91 m/z 0.68% 0.0357% 1857 1.3 150 146374 0.0464% 1465376 1332389 1902184 4-3 13: 91 117 194 207 92 208 193 115 65 312 104 51 118 0.970 25.61 2.1 97 98 95 97 312 18.5 1.511 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3101 2505.9 3.3 scans 33% 204 m/z (161) 0.43% 0.0890% 1922 1.0 228 233528 0.280% 3651661 2774519 11478698 20-1 9: 204 217 219 218 220 306 293 333 307 0.914 25.86 45.2 81 87 88 98 361 10.7 0.218 0.454 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5637 2532.1 3.0 scans 30% 512 m/z (218) 1.3% 0.0390% 1946 1.1 180 74572 1600922 1584966 1-0 15: 512 455 247 513 456 514 483 349 248 263 457 497 484 409 234 0.931 26.57 -1.0 93 95 84 96 512 61.3 11.544 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9404 2571.0 3.1 scans 89% 371 m/z 0.032% 1.12% 1982 0.7 980 3131618 45995317 43778172 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 71 103 116 75 145 85 101 117 1.000 26.39 56.4 90 97 97 100 459 124.1 1.610 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1008 Sucrose 27.4265 2621.9 2.9 scans 42% 361 m/z (397) 0.39% 0.106% 2028 1.1 296 255766 4369791 4131440 1-6 10: 361 362 437 363 271 438 451 439 452 364 0.970 27.59 -17.6 96 97 93 98 437 52.7 3.169 -0.164 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN LQC1-N1010 Sucrose 27.4265 2621.9 2.9 scans 40% 361 m/z 0.39% 0.0938% 2028 1.1 286 255971 3847020 3637184 1-6 10: 361 362 437 363 271 438 451 439 452 364 0.905 27.58 -16.3 98 98 90 98 437 52.7 3.395 -0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9211 2674.7 2.9 scans 83% 73 m/z 0.21% 0.363% 2075 1.1 612 460116 1.21% 14894448 14894448 49604374 0-0 20: 73 161 109 205 57 160 145 287 214 147 286 127 75 517 83 201 186 172 312 301 0.998 27.91 1.3 99 98 99 100 662 28.0 0.209 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9915 2682.2 3.5 scans 47% 214 m/z 0.92% 0.0892% 2082 0.7 293 109269 0.739% 3657493 3657493 30295564 0-0 20: 214 160 286 83 312 186 340 240 662 110 430 114 343 313 156 375 314 242 391 663 0.748 27.98 1.0 96 98 75 96 662 15.3 0.272 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0473 2688.2 >3 scans 54% TIC 0.85% 0.0422% 2087 1.5 282 117157 0.891% 1732328 1732328 36526857 0-0 0.985 28.03 1.5 94 93 91 97 574 25.0 0.790 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.4093 2728.3 3.5 scans 62% 399 m/z 0.36% 0.145% 2122 1.1 323 278128 5977412 5771672 1-1 7: 399 400 487 401 116 101 488 0.941 28.19 24.4 96 96 94 97 487 41.7 1.666 0.216 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1030 C18:0-2-glycerol 28.7155 2762.7 3.9 scans 94% TIC 0.054% 2.52% 2151 0.7 1270 1836498 3.01% 103450741 99594618 123396006 1-0 1.000 28.67 5.4 92 90 91 94 457 213.9 2.837 0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1034 Nonacosane 29.5204 2853.2 3.1 scans 38% 57 m/z 1.0% 0.0314% 2227 1.1 169 96853 1288767 1124893 3-2 13: 57 71 85 365 99 56 70 113 393 366 127 84 86 0.978 29.50 1.7 92 93 95 93 408 2.9 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8413 2889.3 4.2 scans 40% 57 m/z 0.63% 0.0737% 2258 0.7 200 159690 3022596 2459673 3-7 19: 57 71 85 99 56 70 113 127 141 84 140 155 126 86 112 408 323 183 168 0.811 29.83 1.6 90 94 81 95 408 13.1 0.432 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1038 Hexacosanol 30.1896 2930.1 3.8 scans 2.1% 439 m/z (193) 11% 0.00126% 2291 1.2 29 8763 0.00294% 51690 51690 120526 0-0 2: 439 440 0.407 30.17 2.0 83 96 34 96 439 23.5 66.921 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1042 C20:0-2-glycerol 30.4242 2958.0 3.3 scans 89% TIC 0.058% 1.98% 2313 0.7 1200 1721520 2.25% 81513481 73659947 92239539 2-0 0.967 30.38 5.1 93 88 79 100 485 191.3 2.542 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4874 2965.5 4.1 scans 55% 57 m/z 0.30% 0.148% 2319 1.3 309 329380 0.458% 6107017 5837355 18775871 0-1 19: 57 71 56 85 393 55 99 392 394 70 83 113 97 127 141 365 111 58 155 0.947 30.46 2.9 96 94 96 98 393 72.0 5.416 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2418 3055.1 3.4 scans 92% 57 m/z 0.044% 1.09% 2391 0.5 901 2258625 44933596 44111411 1-0 20: 57 71 85 99 55 69 83 56 97 393 113 70 127 111 141 84 155 421 98 169 0.999 31.21 3.6 98 96 98 99 393 143.4 2.536 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1048 Hentriacontane 31.5469 3091.3 3.2 scans 89% 57 m/z 0.046% 0.950% 2420 0.5 861 2157014 38976820 38963127 1-0 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 125 169 0.997 31.53 1.8 99 99 100 99 436 51.7 0.361 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6911 3108.4 7.5 scans 18% 204 m/z 1.4% 0.0112% 2433 1.4 117 71436 0.0783% 462595 434425 3209936 0-2 12: 204 597 205 337 103 598 191 338 73 217 599 129 0.894 31.68 1.8 88 90 79 89 597 16.3 1.947 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8405 3126.2 3.1 scans 89% 502 m/z 0.042% 0.783% 2448 0.6 796 2391719 32108319 31520092 1-0 16: 502 237 503 73 236 504 238 57 277 221 223 208 239 505 74 193 1.000 31.79 5.8 100 99 99 100 502 388.5 23.897 0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.7 scans 75% TIC 0.39% 0.328% 2459 1.1 503 255088 1.04% 13462819 12922534 42635165 3-0 0.989 31.87 11.2 96 95 95 98 458 73.6 2.143 0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1309 3160.7 3.1 scans 71% 57 m/z 0.080% 0.531% 2475 0.7 653 1248008 0.616% 21780190 20780836 25253136 3-1 20: 57 71 85 56 421 55 69 99 83 97 70 422 113 420 127 111 141 84 155 58 0.994 32.11 2.5 96 94 98 99 421 154.3 5.593 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1004 Campesterol 32.8011 3240.3 3.6 scans 51% 129 m/z (57) 0.24% 0.538% 2539 0.7 593 414950 22079328 21069523 0-1 19: 129 343 382 472 367 95 107 383 121 119 344 75 145 105 342 81 159 93 473 0.952 32.21 70.2 81 95 83 97 472 94.1 2.515 0.591 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1046 Stigmasterol 33.0105 3265.1 3.6 scans 90% 83 m/z 0.092% 1.50% 2559 0.5 1045 1090729 61600607 59647184 1-0 20: 83 129 55 255 69 394 81 484 73 133 159 75 119 145 107 105 95 93 91 351 0.996 32.98 3.3 96 94 98 97 665 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1168 3277.8 3.2 scans 81% 57 m/z 0.061% 0.690% 2569 0.7 754 1630720 28290281 28077104 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.993 33.10 2.4 90 88 97 93 515 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN WTF2-N1034 b-Sitosterol 33.4977 3323.0 3.6 scans 75% 129 m/z 0.22% 0.665% 2605 0.7 697 451110 1.10% 27296474 26320781 45094886 1-1 19: 129 357 396 486 381 95 75 107 119 121 358 397 81 145 356 105 57 55 159 0.981 32.88 73.7 84 97 98 99 486 98.9 2.014 0.621 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5966 3334.8 4.4 scans 74% 505 m/z (386) 0.14% 1.01% 2615 0.9 776 694892 2.59% 41410239 39802696 106177958 2-0 20: 505 271 361 491 73 169 506 109 103 223 492 362 127 289 201 507 272 129 147 217 0.989 33.63 -3.3 96 96 95 100 505 199.0 6.581 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7029 3347.4 >6 scans 48% TIC 0.46% 0.371% 2625 6.3 446 216181 1.93% 15241976 14042072 79121027 0-2 0.875 33.69 1.2 87 87 72 92 505 87.7 3.870 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8996 3370.7 3.5 scans 14% 441 m/z 1.1% 0.0245% 2643 0.9 131 86210 1007614 975528 1-1 8: 441 442 509 308 646 510 443 511 0.876 33.80 12.3 81 77 74 95 646 21.3 2.636 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4920 3441.1 5.1 scans 90% 271 m/z 0.060% 3.31% 2700 0.6 1268 1665736 4.25% 135817090 132247851 174230241 1-0 20: 271 331 73 505 109 361 223 241 169 127 506 103 475 217 272 201 332 289 199 243 0.998 34.52 -3.1 100 99 99 100 505 282.1 4.954 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5488 3447.8 >4 scans 81% TIC 0.15% 0.929% 2705 2.0 805 665712 3.97% 38107316 34486727 162751542 0-1 0.998 34.59 -4.8 99 98 97 99 596 4.8 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5930 3453.1 3.9 scans 25% 596 m/z (505) 0.35% 0.101% 2709 1.0 250 281892 0.106% 4146161 3980942 4345507 2-1 13: 596 597 598 316 599 356 315 303 300 370 600 595 454 0.931 34.47 14.4 95 96 90 99 596 133.4 28.439 0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN EXBLK5S-N1006 Contamination 6.3635 1047.8 2.2 scans 76% 207 m/z 0.64% 0.0251% 26 1.5 173 158483 0.0285% 1055604 1030195 1196570 0-6 18: 207 73 295 208 209 296 191 297 71 279 74 193 189 133 177 210 247 192 0.995 6.63 -15.5 97 96 86 97 295 51.3 8.807 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1192 Contamination 7.9502 1141.9 2.3 scans 97% 147 m/z 0.077% 0.382% 177 1.0 633 1333313 16046603 15697878 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 100 75 103 160 149 131 134 221 0.996 7.99 -2.3 99 98 97 98 235 129.7 4.201 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1026 Cadaverine NC 8.1217 1152.0 2.3 scans 53% 174 m/z 4.5% 0.00305% 193 0.9 56 22516 0.0329% 128077 127227 1381304 1-0 8: 174 175 216 86 142 100 176 160 1.000 7.74 22.8 93 94 84 94 216 15.1 7.183 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1188 Contamination 8.3006 1162.6 2.4 scans 48% 281 m/z 3.8% 0.00724% 211 1.0 85 26863 0.00862% 303980 279569 361910 1-7 10: 281 147 282 283 370 265 207 371 148 249 0.888 8.41 -6.8 94 93 71 96 369 24.7 8.448 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1186 Phosphate 8.4805 1173.3 2.4 scans 89% 241 m/z 0.56% 0.0284% 228 1.3 167 180336 1194225 1159073 1-1 19: 241 242 133 211 256 243 163 195 135 98 89 59 121 137 181 212 257 119 134 0.999 8.56 -4.7 99 98 96 99 299 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1180 Benzoic acid 9.6600 1242.7 2.5 scans 39% 179 m/z 6.2% 0.00350% 340 0.9 57 16478 0.00406% 147162 147162 170459 0-0 7: 179 105 135 180 51 194 106 0.573 9.76 -5.8 94 95 86 95 194 9.5 2.749 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN VEN77_S6-N1002 Glycerol 10.0378 1264.8 5.5 scans 93% 299 m/z 0.011% 3.76% 376 0.3 1331 8776928 157893570 156020393 0-1 20: 299 73 314 147 205 133 283 117 207 103 211 193 191 206 148 135 74 75 225 131 0.972 10.09 -3.2 99 97 93 99 299 729.6 30.198 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6565 1301.0 2.8 scans 89% 199 m/z 1.1% 0.0677% 434 1.1 237 91238 2843192 2663270 1-1 19: 199 75 69 55 145 57 85 83 111 84 71 132 70 200 67 56 81 125 79 0.992 10.73 -4.6 83 76 62 97 209 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9984 1321.6 2.4 scans 62% 184 m/z 5.6% 0.00703% 467 0.9 83 18272 0.0103% 295351 263741 432445 4-1 12: 184 134 285 174 86 77 100 185 59 227 286 172 0.990 11.06 -3.9 90 90 75 93 285 23.4 7.946 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3709 1344.0 2.8 scans 25% 57 m/z (84) 0.35% 0.0776% 502 1.1 245 288740 0.0844% 3259156 3166791 3543527 1-1 18: 57 97 115 145 127 69 111 129 59 109 128 72 71 98 87 201 113 114 0.936 11.45 -4.5 96 99 96 99 145 72.7 8.769 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3962 1345.5 3.3 scans 95% TIC 0.028% 0.847% 505 0.5 787 3570267 0.860% 35578326 34379227 36107027 2-0 0.992 10.96 26.5 95 95 95 98 161 204.2 6.743 0.440 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1146 Malic acid 13.4501 1472.4 2.5 scans 82% 73 m/z 0.78% 0.0352% 700 0.9 187 131012 1480651 1426081 1-1 19: 73 147 233 245 148 189 190 133 191 175 335 149 234 74 55 101 71 246 217 0.951 13.62 -10.4 94 93 88 93 350 0.0 0.000 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6611 1551.2 2.8 scans 94% TIC 0.12% 0.143% 815 1.2 358 796975 0.189% 6004967 5686861 7935149 2-0 0.998 14.16 32.9 91 91 90 97 250 68.1 3.608 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1044 Dodecanol 14.7127 1554.6 2.7 scans 91% TIC 0.42% 0.0493% 820 1.1 218 241077 0.232% 2069998 2004179 9740500 0-2 0.998 14.24 31.2 96 98 97 99 243 120.9 30.716 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1763 1654.1 2.8 scans 79% 290 m/z (195 156) 0.31% 0.0640% 959 1.7 221 326797 2687557 2619719 1-1 12: 290 291 292 392 144 115 393 293 172 200 160 394 0.986 16.28 -7.0 96 99 97 99 392 30.0 1.845 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5330 1678.9 2.8 scans 93% 55 m/z 0.27% 0.147% 993 1.2 348 372067 0.158% 6181292 5486664 6633617 8-4 20: 55 69 83 73 56 97 70 57 84 111 82 127 113 98 68 71 140 96 67 112 0.999 16.63 -6.5 99 98 99 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1010 Glycerol-P 17.4779 1746.8 2.9 scans 97% 299 m/z 0.026% 2.38% 1083 0.5 1396 3864103 100216435 94737974 1-1 20: 299 357 73 147 315 358 300 370 445 211 359 301 103 101 129 256 387 133 218 328 0.999 16.97 37.3 96 99 98 99 445 219.8 2.481 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4217 1816.4 4.3 scans 95% TIC 0.029% 2.78% 1172 0.5 1236 3439218 116761766 109203570 1-3 0.995 17.91 38.2 96 99 98 99 327 118.4 0.920 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1012 Phytol 18.5553 1826.6 3.3 scans 97% 68 m/z 0.063% 1.42% 1185 0.6 1025 1619860 1.69% 59629589 58607508 70954506 2-0 20: 68 95 82 69 123 57 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.5 94 98 99 99 278 60.8 0.351 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1016 Hexadecene 18.6174 1831.3 2.8 scans 91% TIC 0.20% 0.221% 1191 1.1 439 495180 4.26% 9280840 8529591 178855737 0-2 0.994 18.10 38.9 85 86 93 97 280 65.5 2.225 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6406 1833.1 2.7 scans 33% 285 m/z 1.8% 0.0214% 1193 1.1 142 56613 901593 862454 1-1 14: 285 117 132 286 145 287 118 300 201 130 116 61 241 257 0.996 18.73 -6.6 94 93 81 94 300 15.2 1.146 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1002 Phytol 18.8min 18.8457 1848.7 2.7 scans 94% 81 m/z 0.35% 0.231% 1213 0.9 439 287054 9723100 8912152 1-10 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 124 109 278 110 53 111 0.997 18.84 0.4 96 95 99 96 278 51.1 1.356 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0930 1867.6 2.9 scans 96% 81 m/z 0.16% 0.476% 1236 0.8 642 607979 19985110 19847475 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 56 53 1.000 18.58 39.2 92 95 98 99 278 87.1 1.840 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1068 Galactopyranose 19.3308 1885.7 2.8 scans 61% 204 m/z 1.5% 0.0259% 1259 1.2 147 67962 0.0265% 1087515 976699 1112600 1-10 10: 204 191 205 192 206 193 189 219 305 291 0.938 19.32 1.2 81 78 74 86 435 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9095 1931.5 2.8 scans 88% 204 m/z (81) 0.23% 0.114% 1314 1.2 307 435858 4803187 4501223 2-1 18: 204 217 205 159 147 206 129 218 103 189 191 133 160 219 148 305 291 203 0.995 19.91 -0.2 93 93 94 99 361 13.1 0.182 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7860 2002.0 2.9 scans 95% TIC 0.13% 0.663% 1397 0.9 756 744496 0.741% 27844298 27519436 31110822 1-1 0.999 20.27 41.8 82 82 94 97 322 51.0 0.455 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1038 C16:0 21.1542 2033.0 3.8 scans 97% 313 m/z 0.024% 2.80% 1432 0.4 1354 4113197 117765696 116843107 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 74 201 315 116 269 1.000 20.62 44.7 94 99 99 100 328 156.1 1.329 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9539 2100.2 3.0 scans 60% 327 m/z 1.5% 0.0346% 1508 1.3 171 66945 1456187 1359547 2-1 11: 327 117 132 145 328 342 329 201 343 299 283 0.942 22.33 -32.8 94 96 91 98 342 21.9 1.653 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1728 2119.3 3.2 scans 18% 396 m/z 5.5% 0.00534% 1529 1.3 64 18412 0.00627% 224179 200097 263245 1-0 8: 396 219 397 398 381 220 307 382 0.886 22.19 -1.2 88 89 55 89 396 33.4 27.643 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3927 2138.5 3.0 scans 23% 204 m/z 3.9% 0.00471% 1550 1.2 64 25953 197986 181425 3-3 4: 204 249 205 206 0.882 22.71 -28.0 87 91 81 90 518 0.0 0.000 -0.321 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1040 Phytol 22.6105 2157.5 3.2 scans 91% 143 m/z 0.061% 0.366% 1570 1.1 521 1682204 15366585 14648303 4-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 97 82 83 67 74 68 0.999 22.08 46.0 80 81 90 97 181 8.8 0.028 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1924 2208.7 7.2 scans 92% 79 m/z 0.035% 6.79% 1626 0.3 1575 2859140 7.78% 285170710 278267842 326642637 0-3 20: 79 75 73 95 93 67 108 81 80 91 107 94 55 129 121 77 149 135 117 122 0.999 23.12 6.9 96 95 98 95 350 113.6 0.521 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1036 C18:0 23.4091 2228.5 2.9 scans 92% 341 m/z 0.076% 0.755% 1646 0.7 786 1336119 31740525 30879123 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 1.000 22.89 46.7 93 99 98 99 356 101.5 1.670 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7121 2256.2 2.8 scans 45% 163 m/z 0.37% 0.0596% 1675 1.1 225 274755 2505145 2367976 2-8 8: 163 331 164 165 332 88 178 90 0.833 23.72 -0.7 96 96 85 97 331 49.5 4.840 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1425 2295.6 3.3 scans 33% 204 m/z 0.70% 0.0299% 1716 0.9 154 146245 0.0383% 1257792 1192740 1608022 1-6 13: 204 205 217 337 147 206 338 219 218 191 361 203 220 0.666 24.18 -3.5 90 92 72 93 581 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1018 myo-Inositol 25.2105 2396.9 4.2 scans 62% TIC 0.83% 0.0744% 1818 1.4 235 123096 0.278% 3123945 3123945 11671806 0-0 0.954 25.21 0.1 97 96 93 99 470 16.5 0.494 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6240 2437.7 3.5 scans 49% 91 m/z 0.61% 0.0355% 1857 1.3 158 167302 0.0455% 1494085 1367638 1910314 5-3 17: 91 117 194 207 92 208 115 65 193 312 104 51 178 116 128 102 89 0.981 25.61 1.4 98 98 96 97 312 19.1 1.463 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5583 2531.5 2.9 scans 51% 512 m/z 0.46% 0.107% 1946 1.0 296 219241 4531877 4448384 0-1 15: 512 455 247 513 456 483 514 248 263 349 457 497 484 423 249 0.965 26.57 -1.6 98 98 91 98 512 99.7 11.363 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9287 2569.8 3.0 scans 85% 371 m/z 0.050% 0.683% 1981 0.8 777 2043703 28711742 27847784 1-1 19: 371 372 147 57 129 205 203 239 459 373 55 71 103 116 75 145 117 101 85 0.999 26.39 55.2 90 97 97 100 459 98.3 1.604 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN LQC1-N1010 Sucrose 27.4211 2621.4 2.9 scans 25% 361 m/z 0.65% 0.0604% 2028 1.0 216 156389 2537066 2154893 0-23 10: 361 362 437 363 451 438 439 452 364 453 0.883 27.58 -16.8 97 97 87 97 437 41.3 3.668 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8420 2666.3 2.9 scans 88% 73 m/z 0.14% 0.641% 2068 0.9 742 697835 1.87% 26943922 26174924 78511791 1-0 20: 73 161 109 205 57 145 160 214 287 147 286 127 201 75 517 186 172 301 312 217 0.999 27.91 -7.1 98 96 99 100 662 34.3 0.214 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9788 2680.9 4.2 scans 73% 73 m/z (245) 0.37% 0.299% 2081 1.0 450 276800 2.33% 12557772 12557772 97824851 0-0 20: 73 161 57 205 287 147 201 517 75 127 172 301 103 162 289 129 217 288 304 55 0.990 27.98 -0.3 94 95 96 96 662 19.5 0.189 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0419 2687.6 7.5 scans 65% TIC 0.50% 0.101% 2087 1.6 366 202669 1.56% 4275985 4275985 65496467 0-0 0.993 28.03 0.9 93 90 93 98 574 32.9 0.812 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.4018 2727.4 3.0 scans 66% 399 m/z 0.31% 0.133% 2121 0.9 337 330929 5615581 5614061 0-1 7: 399 400 203 487 401 116 488 0.954 28.19 23.5 97 97 95 98 487 43.7 1.683 0.209 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.7069 2761.7 3.7 scans 93% TIC 0.061% 2.41% 2150 0.9 1211 1668849 101449766 98896909 1-1 0.993 28.67 4.4 92 90 91 94 457 201.3 2.766 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1034 Nonacosane 29.5076 2851.8 >4 scans 44% TIC 1.0% 0.0210% 2226 1.3 175 100071 0.0848% 885574 712118 3560321 0-3 0.948 29.50 0.3 92 92 95 95 408 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8328 2888.4 3.7 scans 38% 57 m/z 0.63% 0.0596% 2257 0.7 192 162383 2505028 2226142 3-7 15: 57 71 85 99 70 127 113 56 141 140 155 126 86 112 408 0.767 29.83 0.7 89 92 77 93 408 13.0 0.455 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1042 C20:0-2-glycerol 30.4125 2956.6 3.3 scans 90% 189 m/z 0.072% 1.55% 2312 0.6 1082 1425535 1.71% 65106086 61781416 71794204 1-0 20: 189 369 129 145 117 73 188 485 103 57 370 75 55 385 131 71 69 83 97 190 0.975 30.38 3.7 93 89 78 100 485 176.3 2.657 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4757 2964.1 3.5 scans 55% 57 m/z 0.36% 0.110% 2318 1.2 282 284700 0.291% 4621779 4320396 12217610 0-1 15: 57 71 85 56 393 392 99 70 394 113 127 141 365 364 58 0.992 30.46 1.5 98 98 97 98 393 68.2 5.849 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2311 3053.8 3.3 scans 90% 57 m/z 0.052% 0.886% 2390 0.5 817 1950160 37203445 36228224 1-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 155 421 169 394 0.999 31.21 2.3 97 95 98 99 393 129.7 2.522 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1048 Hentriacontane 31.5363 3090.1 3.3 scans 86% 57 m/z 0.052% 0.848% 2419 0.6 802 1959020 35614449 34706555 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 169 0.998 31.53 0.6 99 98 100 98 436 47.1 0.345 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6857 3107.8 7.3 scans 18% 204 m/z 1.2% 0.0130% 2433 1.2 124 84087 0.0935% 546407 546407 3925590 0-0 11: 204 337 597 205 338 217 73 103 206 598 129 0.873 31.68 1.2 87 88 79 89 597 16.7 1.816 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8319 3125.2 2.9 scans 88% 502 m/z 0.040% 0.730% 2447 0.7 793 2528496 30683586 30240726 1-0 17: 502 237 503 73 236 504 238 57 277 221 223 208 71 239 74 505 193 1.000 31.79 4.8 100 99 99 100 502 391.6 24.408 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9551 3139.8 3.4 scans 71% 329 m/z 0.37% 0.376% 2459 0.9 508 276548 15801857 14453055 1-4 15: 329 129 368 458 353 95 330 121 107 105 328 145 369 93 91 0.987 31.87 10.4 97 95 95 98 458 76.6 2.275 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1255 3160.0 3.1 scans 68% 57 m/z 0.085% 0.481% 2475 0.7 624 1197441 0.561% 20211975 19838950 23553537 2-1 20: 57 71 85 421 56 55 69 99 83 97 70 420 422 113 127 111 141 84 393 58 0.990 32.11 1.8 96 94 98 99 421 146.9 5.551 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1004 Campesterol 32.7937 3239.4 3.6 scans 58% 129 m/z (57) 0.22% 0.622% 2538 0.7 621 463149 26125366 24130917 1-1 19: 129 343 382 472 367 75 95 107 121 344 119 383 145 105 342 81 91 93 159 0.959 32.21 69.3 82 95 84 97 472 98.1 2.499 0.584 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1046 Stigmasterol 33.0073 3264.8 3.7 scans 87% 83 m/z 0.098% 1.51% 2559 0.4 1009 1039966 63538694 58334718 1-1 20: 83 129 255 484 394 55 69 81 73 133 75 159 119 145 351 355 105 107 93 95 0.998 32.98 3.0 95 94 97 97 665 0.0 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1104 3277.0 3.2 scans 81% 57 m/z 0.063% 0.711% 2568 0.7 745 1623736 29863718 29393286 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 126 72 0.994 33.10 1.6 87 83 96 94 515 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN WTF2-N1034 b-Sitosterol 33.4860 3321.6 3.5 scans 74% 129 m/z 0.24% 0.550% 2604 0.7 643 417061 1.00% 23131674 22481830 41984915 3-1 19: 129 357 396 486 381 95 107 75 121 119 358 397 81 145 105 57 356 159 55 0.991 32.88 72.3 85 97 98 99 486 92.3 2.061 0.609 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5923 3334.2 9.8 scans 67% 505 m/z (217) 0.11% 1.19% 2614 1.0 807 889509 2.53% 50147307 50147307 106221834 0-0 20: 505 271 361 73 491 169 506 109 103 223 492 362 272 127 289 507 201 129 147 243 0.989 33.57 2.4 83 84 70 87 505 232.3 8.285 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5923 3334.2 9.8 scans 85% 505 m/z 0.11% 1.43% 2614 1.0 910 887766 3.04% 60207131 60207131 127634141 0-0 20: 505 271 361 73 491 169 506 109 103 223 492 362 272 127 289 507 201 129 147 243 0.999 33.63 -3.9 96 93 90 100 505 232.0 6.496 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7059 3347.7 >4 scans 49% 505 m/z (475) 0.47% 0.436% 2625 1.5 470 215172 2.60% 18334866 14200334 109160778 0-6 16: 505 57 491 71 271 506 56 449 85 169 109 492 507 127 493 448 0.985 33.69 1.5 94 95 93 98 505 114.2 5.899 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8932 3370.0 3.4 scans 17% 441 m/z 0.78% 0.0342% 2643 1.0 155 130078 1438498 1385224 1-2 8: 441 442 646 308 443 647 509 329 0.822 33.80 11.6 89 87 81 96 646 25.8 2.748 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4782 3439.5 4.9 scans 86% 271 m/z 0.087% 2.30% 2698 0.7 1060 1179732 3.28% 96604541 89925776 137710521 2-0 20: 271 331 505 73 109 361 241 223 169 506 127 475 103 217 201 272 332 289 199 243 0.998 34.52 -4.7 100 99 99 100 505 240.6 5.156 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5403 3446.8 >5 scans 71% 271 m/z (596) 0.18% 0.830% 2704 1.2 724 541194 3.51% 34852832 34852832 147367051 0-0 20: 271 505 331 73 109 361 223 169 506 241 475 103 127 217 272 201 332 199 289 243 0.997 34.59 -5.8 97 98 98 99 596 4.3 0.000 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5887 3452.6 3.8 scans 24% 596 m/z (505) 0.36% 0.102% 2709 0.8 247 284742 4317707 3936917 10-1 11: 596 597 598 316 599 302 318 356 468 384 354 0.909 34.47 13.9 94 95 87 99 596 131.4 28.273 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN EXBLK5S-N1006 Contamination 6.3679 1048.1 2.5 scans 77% TIC 0.52% 0.0333% 27 1.9 187 196212 0.101% 1315235 1233249 3987796 1-1 0.994 6.63 -15.2 97 96 88 97 295 58.5 9.821 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1192 Contamination 7.9683 1142.9 2.3 scans 97% 147 m/z 0.066% 0.479% 179 0.9 682 1555580 18920286 18675264 4-0 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 75 100 103 149 131 134 236 0.997 7.99 -1.3 98 97 97 98 235 141.2 4.287 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1026 Cadaverine NC 8.1261 1152.3 2.3 scans 72% 174 m/z 1.7% 0.00936% 194 1.0 94 58962 0.0499% 369920 332356 1970208 2-1 10: 174 175 216 142 86 100 176 160 130 217 0.996 7.74 23.1 95 95 91 95 216 24.3 6.604 0.390 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1188 Contamination 8.3039 1162.8 2.3 scans 55% 281 m/z 2.9% 0.00858% 211 1.0 93 35233 339071 339071 0-1 9: 281 369 282 283 370 265 207 371 249 0.944 8.41 -6.6 96 95 80 97 369 28.8 9.595 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1186 Phosphate 8.4954 1174.2 2.3 scans 86% 241 m/z 0.55% 0.0273% 229 1.2 167 185614 1081760 1018115 1-1 19: 241 242 133 211 243 163 256 195 135 98 59 89 257 181 119 134 137 212 167 0.996 8.56 -3.8 99 98 95 99 299 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1180 Benzoic acid 9.6707 1243.3 2.6 scans 37% 179 m/z 5.6% 0.00406% 341 1.1 59 18330 0.00472% 160402 154847 186360 4-0 7: 179 105 135 77 180 51 194 0.938 9.76 -5.2 95 96 89 96 194 8.1 1.867 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LACTIC~1-N1034 Glycerol 10.0453 1265.2 3.1 scans 8.5% 147 m/z (299) 0.15% 0.248% 376 0.4 390 687415 9791814 9694912 2-0 20: 147 205 117 103 218 206 148 131 204 149 129 177 219 101 203 104 116 175 217 118 0.528 10.11 -3.8 83 95 58 94 293 27.6 0.501 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN VEN77_S6-N1002 Glycerol 10.0484 1265.4 6.1 scans 98% 299 m/z 0.012% 4.13% 377 0.2 1276 8557338 163436907 159843777 1-1 17: 299 205 218 204 203 217 293 200 294 295 387 95 128 263 110 155 240 0.975 10.09 -2.6 99 98 94 99 299 714.8 31.530 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0028 1321.8 2.5 scans 72% 184 m/z 2.7% 0.0145% 467 1.0 115 37036 0.0184% 573206 547021 726490 3-1 16: 184 134 285 174 77 86 100 227 185 59 286 172 186 130 175 110 0.982 11.06 -3.7 95 93 83 97 285 31.9 7.739 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3774 1344.4 2.9 scans 23% 57 m/z (84) 0.36% 0.0802% 503 0.9 242 279958 0.0888% 3169827 3064939 3506102 0-2 20: 57 97 115 145 127 69 129 59 56 111 109 128 72 58 71 87 98 201 114 113 0.946 11.45 -4.1 95 98 96 99 145 71.9 8.808 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3984 1345.7 3.1 scans 92% TIC 0.035% 0.673% 505 0.7 694 2876392 0.690% 26589422 24919673 27243356 2-2 0.989 10.96 26.7 96 96 97 98 161 180.6 6.770 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN TAB_REP6-N1026 Malic acid 13.4523 1472.5 2.5 scans 86% 73 m/z 0.63% 0.0479% 700 1.1 212 164333 1894560 1787421 2-1 17: 73 147 233 245 189 133 190 148 335 191 175 74 149 101 55 234 307 0.998 13.53 -5.1 95 94 91 95 335 24.2 1.307 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6655 1551.5 2.8 scans 93% 174 m/z 0.12% 0.170% 815 1.1 366 852996 0.176% 6730507 6561544 6949030 1-0 20: 174 73 175 86 176 250 100 59 91 130 74 251 117 162 177 87 121 131 65 101 0.998 14.16 33.2 91 91 90 97 250 70.1 3.660 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1044 Dodecanol 14.7160 1554.8 2.9 scans 90% TIC 0.39% 0.0620% 820 1.1 227 259093 0.283% 2451053 2451053 11173724 0-0 0.999 14.24 31.4 97 98 97 99 243 124.4 29.936 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1786 1654.3 2.7 scans 82% 290 m/z (156) 0.31% 0.0754% 959 2.0 229 330255 2980463 2903023 1-1 13: 290 291 292 392 144 393 131 115 293 160 394 172 200 0.962 16.28 -6.8 96 97 94 99 392 31.8 1.924 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5363 1679.1 2.8 scans 91% 55 m/z 0.27% 0.163% 993 1.2 347 371180 0.176% 6444530 5457794 6949030 9-4 19: 55 69 73 83 56 70 97 57 84 111 82 127 113 98 68 140 96 67 112 1.000 16.63 -6.3 99 98 99 98 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1010 Glycerol-P 17.4717 1746.3 4.0 scans 100% 71 m/z 0.034% 2.23% 1082 0.5 1216 3026599 3.89% 88439492 88439492 153589357 0-0 20: 71 55 57 118 83 153 161 70 84 97 53 154 138 56 143 126 238 168 63 82 1.000 16.97 36.8 96 99 98 99 445 195.0 2.571 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4261 1816.7 4.1 scans 94% TIC 0.028% 3.02% 1173 0.5 1266 3587192 119468691 115331812 1-2 0.982 17.91 38.5 95 99 98 99 327 120.0 0.899 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1012 Phytol 18.5628 1827.1 3.1 scans 98% 68 m/z 0.063% 1.48% 1186 0.4 1026 1635465 1.61% 58793694 58055050 63567832 1-1 20: 68 95 82 123 69 57 55 81 83 67 97 71 109 96 124 111 79 56 85 137 1.000 18.04 39.0 94 98 99 99 278 62.2 0.367 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1016 Hexadecene 18.6207 1831.6 2.5 scans 91% 70 m/z 0.23% 0.194% 1191 1.1 416 448450 1.30% 7663515 7663515 51328063 0-0 20: 70 69 55 71 57 83 56 111 125 97 126 84 280 85 67 140 112 82 68 98 0.997 18.10 39.2 85 85 92 97 280 63.3 2.316 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6439 1833.3 2.8 scans 27% 285 m/z 1.6% 0.0299% 1193 1.1 149 63260 0.310% 1183804 1017069 12239769 12-2 18: 285 117 75 132 129 145 286 131 118 287 300 201 241 116 146 257 61 130 0.993 18.73 -6.4 94 94 82 95 300 15.3 1.065 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.7 scans 93% 81 m/z 0.37% 0.213% 1213 1.0 428 274616 8443692 7981010 1-4 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 124 97 109 278 53 110 111 0.994 18.84 0.7 96 95 99 96 278 50.8 1.409 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9353 1855.6 5.2 scans 50% TIC 2.9% 0.0109% 1221 1.0 94 34644 0.141% 434111 434111 5567121 0-0 0.949 18.40 40.6 83 86 86 92 364 5.8 0.378 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1018 Fructose 18.9353 1855.6 2.9 scans 44% 307 m/z 3.4% 0.0101% 1221 0.8 88 29740 0.0110% 398918 357446 434314 2-1 10: 307 103 217 308 309 302 218 189 104 205 0.965 18.52 31.3 82 84 85 89 364 6.6 0.557 0.410 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN BRA4_R~2-N1004 Galactose 19.2573 1880.1 2.7 scans 28% 319 m/z 7.2% 0.00491% 1252 1.0 65 14212 193934 193934 1-0 5: 319 160 320 321 206 0.926 19.36 -8.0 84 85 74 86 364 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9118 1931.7 2.9 scans 87% TIC 0.22% 0.145% 1314 1.1 309 462387 0.175% 5754574 4150010 6909547 0-3 0.987 19.91 -0.0 96 93 94 99 361 13.9 0.204 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7903 2002.4 3.1 scans 95% TIC 0.17% 0.609% 1397 0.8 666 580147 0.659% 24050065 23645979 26019379 1-2 1.000 20.27 42.2 82 82 94 97 322 46.2 0.482 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1038 C16:0 21.1597 2033.4 3.8 scans 98% 313 m/z 0.026% 2.89% 1433 0.4 1300 3943813 114307707 112029948 0-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 315 57 201 69 74 269 285 1.000 20.62 45.1 94 99 99 100 328 150.3 1.339 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6573 2075.2 2.7 scans 34% 305 m/z 5.0% 0.0114% 1480 0.9 97 20637 453591 423141 4-2 12: 305 318 191 306 265 319 307 432 433 320 219 291 0.929 21.75 -7.7 82 82 63 85 507 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9562 2100.4 3.1 scans 65% 327 m/z 1.3% 0.0462% 1508 1.4 182 78551 1825269 1710635 1-2 12: 327 117 132 328 145 342 201 118 329 283 299 146 0.962 22.33 -32.6 94 97 93 98 342 24.4 1.791 -0.374 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1771 2119.7 3.1 scans 17% 396 m/z 5.8% 0.00513% 1529 1.3 60 17607 0.00623% 202917 196853 245980 1-0 7: 396 219 397 381 398 220 307 0.866 22.19 -0.8 87 87 54 89 396 32.4 29.042 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3928 2138.5 3.1 scans 15% 204 m/z 4.3% 0.00403% 1550 1.2 51 23735 159343 122179 2-5 4: 204 249 205 206 0.687 22.71 -28.0 84 88 56 87 518 0.0 0.000 -0.321 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1040 Phytol 22.6148 2157.9 3.3 scans 90% TIC 0.080% 0.309% 1571 1.2 448 1278961 0.369% 12222180 10777742 14569273 6-0 0.997 22.08 46.4 80 81 90 97 181 6.2 0.019 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1946 2208.9 7.2 scans 95% TIC 0.034% 7.37% 1626 0.2 1586 2988375 8.73% 291354142 291354142 344687683 0-0 0.999 23.12 7.1 96 95 99 95 350 116.5 0.540 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1036 C18:0 23.4145 2229.0 2.6 scans 93% 341 m/z 0.066% 0.838% 1647 0.7 845 1567345 33124111 31933620 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 343 201 74 116 297 1.000 22.89 47.2 93 98 98 99 356 110.6 1.714 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7154 2256.5 2.9 scans 40% 163 m/z 0.42% 0.0590% 1675 1.1 209 245984 0.0670% 2332183 2143495 2645369 2-13 12: 163 331 164 165 161 88 332 178 90 162 179 313 0.813 23.72 -0.4 95 95 82 96 331 47.3 5.141 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1447 2295.8 3.3 scans 34% 204 m/z (333) 0.73% 0.0360% 1716 0.8 150 140684 0.0454% 1421374 1289219 1792534 0-4 14: 204 205 217 147 337 206 338 219 218 191 361 339 203 291 0.988 24.18 -3.3 88 90 82 90 581 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1018 myo-Inositol 25.2127 2397.1 3.5 scans 65% TIC 0.76% 0.0820% 1818 1.4 250 134870 0.327% 3238587 3235555 12910982 0-1 0.956 25.21 0.3 98 97 94 99 470 17.2 0.473 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6294 2438.3 3.5 scans 44% 91 m/z 0.70% 0.0335% 1857 1.4 147 147703 1322884 1163036 3-4 15: 91 117 194 207 92 208 65 115 193 312 104 51 118 178 102 0.981 25.61 2.0 96 96 95 97 312 17.8 1.468 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3060 2505.5 3.1 scans 44% 204 m/z (161) 0.44% 0.0716% 1922 1.1 222 234431 0.273% 2827156 2661916 10778893 4-0 11: 204 217 219 218 191 305 220 293 291 333 307 0.957 25.86 44.8 82 87 91 99 361 11.1 0.251 0.450 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5616 2531.9 4.1 scans 62% TIC 0.40% 0.145% 1946 2.0 309 258375 0.404% 5730187 5616991 15951183 1-1 0.888 26.57 -1.2 98 98 90 99 512 99.2 10.315 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9362 2570.6 2.9 scans 92% 371 m/z 0.038% 0.976% 1982 0.7 874 2663917 38540198 37874520 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 313 1.000 26.39 56.0 90 98 97 100 459 111.0 1.618 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1014 Sucrose 27.4202 2621.3 2.9 scans 34% 361 m/z 0.58% 0.0653% 2028 1.0 226 177903 2580424 2534821 0-2 11: 361 362 437 363 271 451 438 439 452 364 272 0.924 27.49 -7.4 97 97 89 98 437 44.1 3.813 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN LQC1-N1010 Sucrose 27.4255 2621.8 5.5 scans 44% TIC 0.60% 0.0880% 2028 1.4 258 171028 0.300% 3478260 3251376 11844938 1-0 0.824 27.58 -16.4 96 96 90 97 437 42.4 2.709 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8390 2666.0 3.0 scans 85% 73 m/z 0.26% 0.367% 2067 1.0 538 386685 1.00% 14522369 13936547 39483125 1-0 20: 73 161 109 57 205 160 145 214 147 287 286 127 75 201 186 517 172 312 103 301 0.998 27.91 -7.4 99 98 99 100 662 25.2 0.219 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0400 2687.4 >3 scans 52% TIC 1.1% 0.0382% 2086 1.3 241 86424 0.696% 1510850 1510850 27480255 0-0 0.972 28.03 0.7 94 93 92 97 574 22.1 0.841 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.4030 2727.6 3.0 scans 66% 399 m/z 0.33% 0.139% 2121 1.1 325 311597 5501741 5355656 1-1 7: 399 400 203 487 401 116 488 0.943 28.19 23.7 96 96 94 97 487 42.2 1.687 0.210 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.7060 2761.6 3.5 scans 93% TIC 0.069% 1.94% 2150 0.8 1113 1483478 2.34% 76877853 71233352 92390513 1-0 1.000 28.67 4.3 92 90 91 94 457 189.1 2.885 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1034 Nonacosane 29.5110 2852.2 >3 scans 41% TIC 1.0% 0.0179% 2226 3.1 168 99268 0.0842% 707420 698429 3324479 0-1 0.959 29.50 0.7 91 91 95 95 408 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8361 2888.8 3.9 scans 43% 57 m/z (218) 0.78% 0.0799% 2257 0.6 192 131510 3156070 2726966 3-6 19: 57 71 85 99 70 127 113 84 141 86 56 126 168 253 183 154 197 169 182 0.981 29.83 1.1 89 90 97 94 408 11.3 0.347 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1042 C20:0-2-glycerol 30.4127 2956.6 3.3 scans 89% TIC 0.085% 1.43% 2312 0.8 998 1209642 1.65% 56576121 54184855 65147157 1-0 0.971 30.38 3.7 93 89 78 100 485 165.7 2.756 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4800 2964.6 3.6 scans 60% 57 m/z 0.30% 0.145% 2318 1.1 307 334283 0.356% 5734252 5112238 14055993 0-2 18: 57 71 85 56 393 55 99 392 70 83 394 97 113 127 141 365 58 364 0.990 30.46 2.0 99 98 97 98 393 74.7 5.923 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2376 3054.6 3.5 scans 89% 57 m/z 0.052% 1.03% 2390 0.5 817 1963278 40982120 39081082 1-1 20: 57 71 85 55 99 69 83 393 56 97 113 70 127 111 141 421 84 155 394 98 0.998 31.21 3.1 98 97 99 99 393 131.7 2.596 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1048 Hentriacontane 31.5375 3090.2 2.9 scans 86% 57 m/z (345) 0.052% 0.867% 2419 0.6 803 1985682 34267594 33204994 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 82 169 0.998 31.53 0.7 98 98 99 100 436 48.4 0.364 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6848 3107.7 7.1 scans 19% 204 m/z 1.1% 0.0147% 2433 1.3 128 87650 0.100% 580496 556211 3948313 0-2 12: 204 597 217 205 337 103 361 73 191 129 206 338 0.902 31.68 1.1 90 91 82 91 597 17.9 1.968 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8289 3124.8 2.9 scans 80% 502 m/z 0.080% 0.418% 2447 0.8 565 1292367 16514257 16182470 1-0 15: 502 237 503 73 236 504 238 277 221 223 208 239 505 74 193 0.996 31.79 4.4 100 99 99 100 502 277.8 24.163 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9573 3140.1 3.4 scans 64% 329 m/z 0.45% 0.321% 2459 1.0 458 227713 12674420 10805696 2-3 16: 329 129 368 458 353 95 330 107 121 328 145 369 105 91 93 459 0.982 31.87 10.7 96 95 94 97 458 70.9 2.391 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1278 3160.3 3.6 scans 74% TIC 0.083% 0.521% 2475 0.8 641 1241278 1.00% 20587163 20587163 39483125 0-0 0.990 32.11 2.1 96 94 98 99 421 148.0 5.329 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1004 Campesterol 32.7969 3239.8 3.7 scans 44% 343 m/z (57) 0.30% 0.485% 2539 0.7 525 340499 19180120 17666353 1-1 18: 343 129 382 472 367 344 107 383 121 119 95 145 342 105 159 91 93 473 0.948 32.21 69.7 81 95 83 97 472 83.6 2.535 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1046 Stigmasterol 33.0042 3264.4 3.6 scans 86% 83 m/z 0.11% 1.36% 2558 0.5 948 925945 53867347 50683362 1-1 20: 83 129 55 255 394 484 69 81 73 75 133 159 119 105 145 107 355 351 93 95 0.998 32.98 2.6 95 93 97 97 665 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1084 3276.8 3.1 scans 74% 57 m/z 0.080% 0.560% 2568 0.8 654 1292999 22146621 21466603 1-4 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 72 0.987 33.10 1.4 84 80 96 94 515 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN WTF2-N1034 b-Sitosterol 33.4914 3322.3 3.8 scans 71% 129 m/z 0.29% 0.531% 2605 0.7 606 351812 1.24% 20970866 19975536 48959075 1-1 20: 129 357 396 486 381 73 75 107 95 81 121 358 145 119 105 397 356 57 159 93 0.983 32.88 73.0 84 96 98 99 486 85.5 1.991 0.614 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5893 3333.9 3.8 scans 82% 505 m/z (483) 0.13% 1.17% 2614 1.1 822 764325 2.41% 46508454 46508454 95154332 0-0 20: 505 271 361 73 491 169 506 109 103 492 223 362 127 272 201 289 507 129 147 217 0.999 33.63 -4.2 95 94 91 100 505 213.6 6.753 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8965 3370.4 3.4 scans 24% 441 m/z 0.56% 0.0539% 2643 1.0 191 183961 2129164 2039531 1-1 11: 441 442 308 646 509 443 647 510 427 511 648 0.885 33.80 12.0 89 86 83 97 646 30.3 2.528 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4826 3440.0 4.6 scans 89% 271 m/z (99) 0.059% 3.34% 2699 0.6 1254 1750079 4.10% 132016572 126314403 161880813 1-0 20: 271 331 73 505 361 109 223 241 169 506 127 103 475 217 272 289 201 332 199 243 0.998 34.59 -12.6 97 98 98 99 596 0.0 0.000 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4826 3440.0 4.6 scans 90% 271 m/z 0.059% 3.23% 2699 0.6 1261 1729288 3.96% 127645044 122131695 156353176 1-0 20: 271 331 73 505 361 109 223 241 169 506 127 103 475 217 272 289 201 332 199 243 1.000 34.52 -4.2 100 99 99 100 505 282.8 5.029 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\BQLD_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5899 3452.7 3.7 scans 28% 596 m/z (505) 0.35% 0.106% 2709 0.9 245 289099 0.116% 4222628 3836035 4580043 3-2 14: 596 597 598 316 599 302 356 318 315 300 342 330 304 370 0.927 34.47 14.0 95 96 89 99 596 131.4 28.759 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN EXBLK5S-N1006 Contamination 6.3700 1048.2 2.1 scans 74% 207 m/z 1.0% 0.0252% 27 1.0 162 93521 776421 676718 1-6 13: 207 73 295 208 209 74 296 191 297 279 193 189 210 0.968 6.63 -15.1 93 92 81 93 295 41.9 6.687 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.8719 1077.9 >6 scans 17% 73 m/z 15% 0.00161% 75 0.5 40 6575 0.0223% 49779 49779 686330 0-0 3: 73 117 147 1.000 6.82 3.0 88 91 85 92 295 0.0 0.000 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8315 1134.8 3.5 scans 54% 147 m/z 3.0% 0.0135% 166 0.7 76 32292 0.250% 417322 284599 7694281 2-0 6: 147 73 148 66 72 149 0.835 7.79 2.2 81 81 76 91 219 6.2 0.657 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1192 Contamination 7.9977 1144.7 2.4 scans 96% TIC 0.083% 0.494% 182 0.9 631 1202116 15226376 13799465 5-2 0.994 7.99 0.5 99 98 97 99 235 128.4 4.139 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1026 Cadaverine NC 8.1282 1152.4 2.3 scans 94% 174 m/z 0.28% 0.0773% 194 1.1 262 355907 0.275% 2379123 2299019 8463710 5-0 20: 174 73 175 216 142 86 59 176 100 160 130 217 74 131 143 161 231 158 87 172 0.998 7.74 23.2 95 94 92 99 216 61.8 5.547 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1188 Contamination 8.3102 1163.2 2.3 scans 73% 281 m/z 2.8% 0.0124% 211 1.1 107 34820 382098 381688 1-0 13: 281 147 369 282 283 370 148 207 265 249 371 149 191 0.883 8.41 -6.2 94 92 69 96 369 29.6 7.639 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1186 Phosphate 8.5175 1175.5 2.1 scans 96% 241 m/z 0.18% 0.101% 231 1.1 314 542695 3110134 3060922 1-0 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 119 121 137 147 212 134 181 1.000 8.56 -2.5 100 99 99 100 299 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1180 Benzoic acid 9.6865 1244.2 2.5 scans 58% 179 m/z 5.5% 0.00468% 342 1.3 62 18060 0.00655% 144297 144297 201590 0-0 7: 179 105 135 77 180 194 51 1.000 9.76 -4.3 95 96 88 96 194 11.0 3.172 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN VEN77_S6-N1002 Glycerol 10.0485 1265.4 5.5 scans 83% 299 m/z 0.014% 3.43% 377 0.4 1176 6828817 105654880 105654880 0-0 20: 299 300 314 301 283 207 315 211 193 135 316 302 225 284 208 189 137 181 298 209 0.923 10.09 -2.6 100 99 98 99 299 687.2 34.333 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LACTIC~1-N1034 Glycerol 10.0579 1265.9 2.7 scans 11% 147 m/z (299) 0.14% 0.321% 377 0.5 432 676514 9889515 9125381 4-1 20: 147 205 117 103 218 206 148 204 149 129 219 203 101 118 217 175 116 293 89 220 0.613 10.11 -3.1 84 96 58 94 293 34.6 0.643 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6777 1302.3 2.7 scans 65% 199 m/z 1.0% 0.0514% 436 1.1 195 91083 1584517 1572588 2-0 17: 199 75 117 145 129 132 200 131 81 74 61 76 79 118 201 155 72 0.784 10.73 -3.3 96 96 91 99 209 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1168 Glyceric acid 10.9565 1319.1 2.6 scans 72% TIC 4.8% 0.00749% 463 1.4 83 20797 0.0531% 230620 230620 1634265 0-0 0.976 11.05 -5.8 89 88 73 91 292 22.4 7.278 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0133 1322.5 2.5 scans 71% 184 m/z 4.2% 0.0120% 468 1.1 99 23674 0.0151% 369499 369499 464735 0-0 14: 184 134 285 174 100 86 77 227 59 185 286 172 135 110 0.997 11.06 -3.0 91 90 79 92 285 27.1 7.555 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3890 1345.1 2.9 scans 16% 57 m/z (84) 0.36% 0.100% 504 1.0 246 275206 0.105% 3083615 2823218 3231598 3-1 19: 57 97 115 145 127 69 129 59 111 109 128 72 71 98 87 201 114 113 96 0.875 11.45 -3.4 91 95 89 98 145 73.1 8.814 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4195 1346.9 3.4 scans 97% 84 m/z (57) 0.021% 1.50% 507 0.5 959 4662818 46313719 45900933 1-1 20: 84 133 162 161 119 92 118 65 82 51 85 130 134 78 117 63 55 91 120 77 0.997 10.96 27.9 95 97 97 99 161 248.1 6.696 0.463 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1146 Malic acid 13.4586 1472.9 2.6 scans 95% TIC 0.20% 0.166% 701 0.9 359 479006 5109718 4993616 1-1 0.998 13.62 -9.9 99 98 97 98 350 6.2 0.030 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9532 1504.3 2.8 scans 36% 156 m/z 4.4% 0.00442% 748 1.1 56 22226 136240 136240 1-0 4: 156 157 230 258 0.984 14.11 -10.4 89 89 82 91 273 0.0 0.000 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2688 1525.2 2.6 scans 69% 263 m/z 0.83% 0.0258% 778 1.1 140 119842 795475 792659 1-0 11: 263 264 278 447 265 448 279 103 207 247 335 0.993 14.33 -3.8 86 80 85 97 278 35.4 6.363 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6676 1551.6 2.9 scans 92% TIC 0.30% 0.0902% 816 1.4 248 327033 0.110% 2778431 2778431 3385484 0-0 0.992 14.16 33.3 91 92 91 98 250 45.9 3.416 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1044 Dodecanol 14.7181 1555.0 >3 scans 75% TIC 2.2% 0.0162% 820 1.5 111 44619 0.104% 499152 496486 3200821 0-1 1.000 14.24 31.6 93 95 90 97 243 55.5 24.940 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 2.8 scans 64% 290 m/z 1.3% 0.0238% 960 1.6 119 74129 734674 626270 1-5 9: 290 291 292 392 158 144 131 115 393 0.944 16.28 -6.3 87 82 71 98 392 16.6 1.932 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 3.0 scans 61% TIC 3.8% 0.00656% 993 1.1 91 26023 0.0604% 201953 201953 1858938 0-0 1.000 16.63 -6.4 86 86 88 86 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1010 Glycerol-P 17.4780 1746.8 2.8 scans 98% 357 m/z 0.037% 2.13% 1083 0.5 1223 2649346 65621216 63793225 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 387 301 103 256 101 133 129 218 328 1.000 16.97 37.3 96 99 98 99 445 193.1 2.497 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4250 1816.6 4.1 scans 94% TIC 0.031% 3.42% 1173 0.5 1296 3158054 105410578 104698068 0-2 0.995 17.91 38.4 96 99 98 100 327 121.4 0.878 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1012 Phytol 18.5576 1826.7 3.3 scans 98% 68 m/z 0.073% 1.60% 1185 0.5 996 1360907 1.75% 49447347 49316382 53859970 0-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.6 94 98 99 99 278 56.7 0.324 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1016 Hexadecene 18.6197 1831.5 2.5 scans 85% 70 m/z 0.29% 0.172% 1191 1.0 375 342530 1.00% 5297668 4844074 30777126 0-1 17: 70 69 57 55 71 83 56 111 125 97 126 84 280 85 140 67 112 0.972 18.10 39.1 86 86 96 97 280 55.3 2.167 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.7 scans 54% 285 m/z 2.6% 0.0212% 1194 0.9 124 37848 653599 650805 1-0 13: 285 117 132 145 286 118 287 300 61 201 257 116 241 1.000 18.73 -6.3 94 94 81 94 300 12.6 1.031 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1076 Pregnane?? 18.7670 1842.7 2.8 scans 79% 345 m/z 1.0% 0.0440% 1205 1.1 184 91017 1356586 1300440 1-1 20: 345 73 346 147 255 347 256 334 435 148 74 133 239 257 149 372 348 419 333 189 0.980 18.86 -7.0 91 91 86 91 537 10.5 0.326 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8490 1849.0 2.7 scans 94% 81 m/z 0.39% 0.260% 1213 1.0 440 251374 8025491 7416337 1-11 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 97 124 109 53 56 278 110 0.998 18.58 20.6 96 93 98 99 278 49.7 1.279 0.270 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9427 1856.1 2.7 scans 82% 73 m/z 0.65% 0.0657% 1222 0.9 223 153799 2023173 1876144 9-1 20: 73 103 217 307 147 308 277 218 133 205 74 104 189 309 364 89 117 148 219 172 0.997 18.40 41.1 92 95 95 99 364 20.4 0.832 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1018 Fructose 19.0605 1865.1 2.7 scans 62% 73 m/z (81) 0.84% 0.0571% 1233 1.2 195 118964 0.119% 1757671 1583576 3662478 1-7 20: 73 103 307 217 147 308 218 277 309 262 104 89 205 364 74 117 219 148 189 133 0.963 18.52 40.8 88 94 94 99 364 19.0 0.949 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1068 Galactopyranose 19.2110 1876.6 >3 scans 47% TIC 2.9% 0.00399% 1247 1.4 85 33442 0.360% 122814 122814 11079765 0-0 0.976 19.32 -7.9 83 83 84 84 435 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BRA4_R~2-N1004 Galactose 19.2615 1880.4 2.7 scans 83% 73 m/z 0.57% 0.0781% 1252 1.0 248 173993 0.138% 2406048 2406048 4247243 0-0 20: 73 319 205 160 147 320 217 103 321 206 117 74 157 133 229 207 161 148 189 89 0.991 19.36 -7.7 95 94 92 96 364 15.0 0.366 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9107 1931.6 3.0 scans 81% TIC 0.56% 0.0500% 1314 0.7 210 177030 0.110% 1539739 1539739 3385484 0-0 0.998 19.91 -0.1 97 96 95 97 361 8.2 0.151 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2748 1960.8 2.7 scans 51% 204 m/z 1.5% 0.0181% 1348 1.1 118 62707 558557 557963 1-0 11: 204 191 147 205 217 192 206 218 193 189 148 0.990 20.41 -11.2 85 85 86 85 217 28.4 5.783 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7851 2001.9 2.8 scans 95% TIC 0.20% 0.545% 1397 0.8 644 480206 0.600% 16775448 16431274 18466275 1-3 1.000 20.27 41.7 83 83 94 98 322 42.2 0.430 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1038 C16:0 21.1523 2032.8 3.3 scans 98% 117 m/z 0.028% 2.94% 1432 0.5 1356 3473730 90736452 90736452 0-0 20: 117 313 73 75 132 129 145 314 55 131 328 118 133 57 69 74 201 315 116 269 1.000 20.62 44.5 94 99 99 100 328 152.4 1.265 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6605 2075.5 2.7 scans 84% 217 m/z (79) 0.55% 0.124% 1480 1.1 301 181447 3820094 3575109 2-1 19: 217 305 147 318 191 306 265 319 218 204 307 129 432 133 148 192 320 433 219 0.994 21.75 -7.4 95 96 95 96 507 19.8 0.436 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9541 2100.2 3.0 scans 75% TIC 1.6% 0.0496% 1508 0.9 188 61818 0.108% 1528920 1336797 3323930 0-1 0.970 22.33 -32.8 94 97 93 97 342 22.9 1.481 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN FAME-N1014 C18:0-methyl ester 22.0825 2111.4 2.7 scans 18% 87 m/z 6.2% 0.00482% 1520 1.1 61 15952 148567 138046 1-1 5: 87 74 298 255 199 0.644 22.28 -16.9 80 82 66 81 298 14.2 5.386 -0.194 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1729 2119.3 2.7 scans 14% 396 m/z 11% 0.00250% 1529 1.1 44 9074 0.00349% 77042 71919 107412 1-0 6: 396 219 397 381 398 220 0.743 22.19 -1.2 85 87 50 87 396 25.0 32.710 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1040 Phytol 22.6159 2158.0 3.2 scans 91% 143 m/z 0.099% 0.285% 1571 1.1 429 1006792 8785691 8351059 4-1 19: 143 73 75 144 123 81 57 55 124 145 95 69 103 83 82 97 67 74 96 0.999 22.08 46.5 81 83 90 96 181 0.0 0.000 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1042 C18:2 23.0494 2195.8 >5 scans 57% 75 m/z (342) 0.19% 0.874% 1612 0.9 570 511603 6.35% 26914755 25431922 195434748 4-0 20: 75 55 69 83 97 149 111 76 187 61 221 179 89 157 84 70 206 125 139 99 0.925 22.53 45.0 82 90 91 95 352 31.7 0.308 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1809 2207.7 5.8 scans 94% 79 m/z 0.039% 6.86% 1625 0.2 1586 2542437 7.68% 211284267 207765437 236368325 0-2 20: 79 75 73 95 93 108 67 81 80 91 107 129 94 55 335 121 149 117 135 77 0.993 23.12 5.9 98 97 99 97 350 111.1 0.490 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1036 C18:0 23.4072 2228.4 2.8 scans 94% 341 m/z 0.096% 0.784% 1646 0.8 764 1032222 24158453 23727019 1-1 20: 341 117 73 132 75 129 145 342 55 356 57 133 69 131 118 343 74 201 83 116 1.000 22.89 46.6 93 99 99 100 356 94.8 1.541 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1458 2295.9 3.1 scans 36% 204 m/z 1.2% 0.0245% 1716 0.8 122 78366 0.0296% 755359 640235 911003 1-9 17: 204 205 217 337 147 103 206 219 338 218 191 361 189 148 203 229 339 0.690 24.18 -3.2 85 84 67 87 581 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1018 myo-Inositol 25.2159 2397.4 3.2 scans 80% TIC 0.46% 0.172% 1818 1.1 339 214355 0.370% 5300480 5249918 11387536 0-2 0.974 25.21 0.6 98 96 95 100 470 22.8 0.453 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6168 2437.0 3.2 scans 60% 91 m/z 0.46% 0.0589% 1856 1.3 193 216471 1813200 1588533 2-3 18: 91 117 194 207 92 208 115 193 65 312 104 118 51 78 116 128 178 179 0.963 25.61 0.7 98 98 97 99 312 22.2 1.326 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5595 2531.7 2.7 scans 37% 512 m/z (218) 1.2% 0.0425% 1946 0.9 179 78872 1310416 1297169 1-0 16: 512 455 247 513 456 483 514 248 263 349 457 497 484 235 423 409 0.942 26.57 -1.4 93 95 86 96 512 59.2 10.945 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9310 2570.0 2.7 scans 90% 371 m/z 0.050% 0.914% 1981 0.8 839 1977011 28149644 27544755 1-1 20: 371 372 73 147 129 57 205 203 239 103 373 55 71 459 116 145 101 75 117 85 1.000 26.39 55.4 90 98 98 100 459 102.8 1.505 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN LQC1-N1008 Sucrose 27.4276 2622.0 2.9 scans 76% 361 m/z 0.16% 0.317% 2028 1.0 492 604055 0.409% 9778254 9435432 12587844 1-8 19: 361 73 217 362 437 147 363 103 271 451 218 169 438 243 319 74 364 439 452 0.972 27.59 -17.5 99 98 95 99 437 84.4 2.947 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9211 2674.7 2.8 scans 90% 73 m/z 0.13% 0.821% 2075 1.1 793 727347 2.25% 25286014 23888565 69248533 1-0 20: 73 161 109 57 205 145 160 287 214 147 286 75 83 201 127 186 517 172 312 129 0.999 27.91 1.3 98 97 99 100 662 35.4 0.200 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0463 2688.1 2.9 scans 69% 73 m/z 0.46% 0.154% 2087 1.1 386 213622 1.83% 4752481 4752481 56322140 0-0 20: 73 161 109 57 287 205 145 147 160 201 517 127 83 182 75 574 245 301 162 55 0.981 28.03 1.4 95 93 93 99 574 33.8 0.763 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.4041 2727.7 2.9 scans 52% 147 m/z 1.1% 0.0374% 2121 1.0 212 88652 1152777 1144476 0-1 19: 147 73 103 203 57 487 55 71 205 116 101 83 488 130 85 220 133 69 131 0.971 28.19 23.8 92 93 89 93 487 25.5 1.445 0.211 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6945 2760.3 3.0 scans 93% TIC 0.13% 1.24% 2149 0.9 899 758099 1.70% 38277023 38134764 52321114 1-0 0.998 28.67 3.0 92 90 91 94 457 141.4 2.472 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1034 Nonacosane 29.5110 2852.2 >4 scans 50% TIC 1.0% 0.0243% 2226 1.0 176 96947 0.0800% 749554 651473 2462170 0-3 0.983 29.50 0.7 92 92 96 93 408 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8340 2888.5 2.9 scans 56% 57 m/z 0.58% 0.0810% 2257 0.9 232 170424 2493533 2037938 5-6 14: 57 71 85 99 56 70 113 127 84 141 126 140 86 58 0.984 29.83 0.8 92 90 98 97 408 14.0 0.365 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1042 C20:0-2-glycerol 30.4085 2956.1 3.1 scans 91% TIC 0.11% 1.31% 2312 0.7 918 863428 1.57% 40583592 38483249 48320087 1-0 0.990 30.38 3.2 91 85 76 100 485 140.6 2.348 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4758 2964.1 3.6 scans 80% TIC 0.21% 0.249% 2318 1.6 396 463028 1.43% 7672366 7318536 44011290 0-1 0.997 30.46 1.5 99 98 99 100 393 83.1 4.410 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2271 3053.3 3.1 scans 88% 57 m/z 0.067% 0.864% 2389 0.7 747 1492264 26615959 25317416 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 421 98 394 0.998 31.21 1.8 99 97 99 100 393 112.9 2.283 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1048 Hentriacontane 31.5280 3089.1 2.8 scans 81% 57 m/z 0.070% 0.691% 2418 0.7 710 1419754 21268105 20152957 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.993 31.53 -0.4 99 97 99 99 436 39.2 0.304 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8216 3123.9 2.9 scans 78% 502 m/z 0.11% 0.361% 2446 0.8 516 893075 11132271 10713732 1-0 16: 502 237 73 503 236 238 504 57 277 221 208 223 74 239 505 193 0.993 31.79 3.5 100 99 98 100 502 248.5 23.155 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9499 3139.2 3.1 scans 76% 329 m/z 0.37% 0.422% 2458 0.9 536 267687 13003459 12246929 1-1 18: 329 129 368 353 458 95 75 107 105 119 121 81 330 145 328 369 91 93 0.998 31.87 9.8 96 94 95 98 458 76.4 2.029 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1236 3159.8 3.1 scans 69% 57 m/z 0.090% 0.593% 2475 0.9 626 1107188 0.690% 18270314 18092459 21236217 2-0 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 127 111 84 141 58 155 0.991 32.11 1.6 97 96 99 99 421 138.4 4.885 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1004 Campesterol 32.7886 3238.8 3.5 scans 51% 129 m/z 0.28% 0.499% 2538 0.7 553 345694 0.558% 15385850 14954201 17173636 0-1 19: 129 343 382 472 367 107 95 75 119 121 145 344 342 105 383 81 159 93 91 0.974 32.21 68.7 83 94 81 96 472 84.9 2.361 0.579 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1046 Stigmasterol 32.9937 3263.2 3.4 scans 88% 83 m/z 0.12% 1.39% 2557 0.6 930 799691 43004388 41668055 1-1 20: 83 129 55 255 69 484 394 81 73 75 133 159 145 119 105 95 107 93 355 351 0.996 32.98 1.4 94 91 97 97 665 8.3 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1053 3276.4 3.1 scans 79% TIC 0.073% 0.660% 2568 0.7 710 1367385 1.85% 20317462 20038666 56937682 0-1 0.983 33.10 1.0 88 86 97 93 515 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN WTF2-N1034 b-Sitosterol 33.4820 3321.1 3.5 scans 72% 129 m/z 0.27% 0.620% 2604 0.7 627 358772 19086478 17988340 1-1 19: 129 357 396 486 381 95 75 57 107 119 81 121 105 358 145 397 356 55 159 0.995 32.88 71.8 85 97 98 99 486 86.6 1.905 0.605 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5872 3333.6 >4 scans 71% 73 m/z 0.31% 0.619% 2614 1.2 602 321590 3.21% 19051059 19051059 98794573 0-0 20: 73 505 271 361 491 109 169 506 103 272 201 127 223 147 492 362 289 243 507 217 0.993 33.57 1.8 97 94 96 100 505 123.5 4.204 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5935 3334.4 3.3 scans 19% 386 m/z (73) 1.0% 0.177% 2614 1.1 313 91165 0.227% 5471156 4963376 6986408 5-13 5: 386 296 281 387 371 0.789 33.58 1.1 85 90 73 93 505 11.2 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7124 3348.5 3.9 scans 65% 505 m/z (204) 0.26% 0.675% 2626 1.0 637 378975 2.70% 20802853 20802853 83098239 0-0 20: 505 271 361 491 109 169 506 103 223 492 362 289 272 201 127 243 507 83 273 493 0.995 33.69 2.3 95 96 96 99 505 154.6 5.893 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.7124 3348.5 3.9 scans 64% 505 m/z 0.23% 0.563% 2626 1.0 633 424809 2.25% 17357215 17357215 69248533 0-0 20: 505 271 361 491 109 169 506 103 223 492 362 289 272 201 127 243 507 83 273 493 0.961 33.63 10.4 97 95 92 99 505 154.0 5.923 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8934 3370.0 3.3 scans 4.4% 441 m/z 2.7% 0.00762% 2643 1.0 68 36141 234764 234764 1-0 6: 441 442 646 308 443 647 0.740 33.80 11.6 89 89 58 93 646 14.5 4.593 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4742 3439.0 >6 scans 85% 271 m/z 0.13% 2.06% 2698 0.9 916 769154 5.86% 63407554 61242773 180353956 1-0 20: 271 331 73 505 109 361 241 169 223 506 127 103 475 201 217 272 332 199 289 243 0.999 34.52 -5.2 100 99 99 100 505 203.2 4.925 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5478 3447.7 4.7 scans 72% 271 m/z (596) 0.10% 2.00% 2705 0.7 1025 997585 5.94% 61616329 61616329 182816126 0-0 20: 271 331 505 73 109 361 223 241 169 506 475 103 127 272 217 289 201 199 332 243 1.000 34.59 -4.9 97 98 98 99 596 6.2 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5868 3452.3 3.9 scans 8.3% 596 m/z 0.43% 0.0698% 2709 0.9 191 231752 2150352 2046269 1-1 11: 596 597 598 316 599 356 600 454 440 581 354 0.981 34.47 13.6 95 95 73 96 596 126.6 43.945 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN EXBLK5S-N1006 Contamination 6.3667 1048.0 2.2 scans 71% 207 m/z 0.95% 0.0357% 27 1.1 167 104422 913475 853589 0-6 15: 207 73 295 208 209 296 191 297 279 193 189 177 247 210 192 0.945 6.63 -15.3 95 94 85 95 295 44.9 7.274 -0.258 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8334 1134.9 7.0 scans 48% 147 m/z (89) 3.6% 0.0114% 166 0.9 71 27642 0.427% 291680 291680 10910509 0-0 6: 147 73 148 66 74 149 0.972 7.79 2.3 85 86 82 90 219 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1192 Contamination 8.0007 1144.9 2.1 scans 98% 147 m/z 0.062% 0.720% 182 0.9 730 1607369 18406446 17934762 6-0 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 75 100 103 149 131 134 221 0.997 7.99 0.7 99 98 97 98 235 148.6 4.140 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1026 Cadaverine NC 8.1249 1152.2 2.4 scans 89% 174 m/z 0.77% 0.0352% 194 1.0 156 129157 901921 893029 1-0 20: 174 73 175 216 142 86 176 100 59 160 130 217 74 131 143 87 101 218 231 158 0.998 7.74 23.0 96 95 93 99 216 36.4 5.463 0.389 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1188 Contamination 8.3069 1163.0 2.1 scans 75% 281 m/z 2.8% 0.0144% 211 1.0 108 35671 368053 367245 1-0 13: 281 147 369 282 283 370 371 148 265 207 249 149 191 0.895 8.41 -6.4 93 91 67 96 369 29.4 7.353 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1186 Phosphate 8.5184 1175.5 2.2 scans 96% TIC 0.12% 0.191% 231 1.1 386 827035 4898610 4801072 1-0 0.999 8.56 -2.5 100 99 99 100 299 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1180 Benzoic acid 9.6864 1244.2 2.6 scans 62% 179 m/z (217) 4.9% 0.00657% 342 1.5 64 20367 0.00940% 168096 168042 240185 2-0 7: 179 105 135 77 180 194 51 1.000 9.76 -4.3 93 96 88 96 194 11.4 3.132 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN VEN77_S6-N1002 Glycerol 10.0494 1265.4 5.1 scans 90% 299 m/z 0.015% 3.80% 377 0.4 1162 6593244 97283240 97283240 0-0 20: 299 73 300 314 301 133 207 283 315 211 191 193 74 75 316 135 59 131 302 225 0.962 10.09 -2.6 99 98 95 99 299 669.0 33.300 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LACTIC~1-N1034 Glycerol 10.0536 1265.7 2.6 scans 9.3% 147 m/z (299) 0.18% 0.263% 377 0.5 375 540392 6723392 6584960 3-0 20: 147 205 103 117 218 148 206 204 149 129 177 219 203 101 118 104 175 89 116 217 0.662 10.11 -3.3 87 95 58 93 293 29.1 0.603 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6754 1302.1 2.6 scans 59% 199 m/z 1.0% 0.0610% 436 0.9 196 92000 1561177 1420770 2-1 17: 199 75 117 145 132 129 200 131 74 118 61 81 76 155 201 72 95 0.678 10.73 -3.5 96 96 90 99 209 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0100 1322.3 2.5 scans 76% 184 m/z 3.0% 0.0205% 468 1.0 121 32301 524394 523394 1-0 15: 184 134 285 174 77 86 100 59 227 286 185 186 175 172 135 0.992 11.06 -3.2 93 91 77 95 285 31.4 6.766 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3878 1345.0 2.9 scans 15% 57 m/z 0.38% 0.115% 504 0.8 237 256975 0.122% 2940750 2601621 3117288 4-2 19: 57 97 115 145 127 69 129 59 111 109 128 72 58 87 98 201 114 113 96 0.886 11.45 -3.5 93 95 89 97 145 72.9 9.440 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4088 1346.3 3.3 scans 93% TIC 0.028% 1.37% 506 0.7 818 3562415 35252969 30637440 4-5 0.988 10.96 27.3 96 97 96 99 161 211.3 6.669 0.453 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN TAB_REP6-N1026 Malic acid 13.4564 1472.8 2.6 scans 95% 73 m/z 0.14% 0.294% 700 1.2 428 693711 7535024 7442841 2-0 20: 73 147 233 245 133 148 189 190 75 74 191 175 149 55 101 335 234 59 217 117 1.000 13.53 -4.8 100 99 98 99 335 50.5 1.391 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1146 Malic acid 13.4564 1472.8 2.6 scans 88% 73 m/z (158) 0.14% 0.277% 700 1.2 413 681621 7089649 7002915 2-0 20: 73 147 233 245 133 148 189 190 75 74 191 175 149 55 101 335 234 59 217 117 0.996 13.62 -10.0 94 96 94 95 350 5.4 0.000 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9499 1504.0 2.8 scans 41% 156 m/z 5.6% 0.00378% 747 1.2 47 17634 96760 96760 0-0 4: 156 157 258 230 0.960 14.11 -10.7 90 91 81 91 273 0.0 0.000 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2655 1525.0 2.6 scans 62% 263 m/z 0.53% 0.0503% 777 1.1 176 187557 1285487 1281452 1-0 19: 263 264 73 278 265 447 279 175 448 207 449 91 247 191 128 205 135 280 149 0.973 14.33 -4.0 87 81 87 98 278 44.7 6.431 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6643 1551.4 3.0 scans 88% TIC 0.66% 0.0432% 815 1.5 166 149586 0.216% 1105421 1105251 5519133 1-0 0.994 14.16 33.1 93 94 91 98 250 30.7 3.397 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1044 Dodecanol 14.7159 1554.8 3.3 scans 81% TIC 1.2% 0.0357% 820 1.1 143 77405 0.150% 913884 913884 3832732 0-0 0.999 14.24 31.4 94 96 92 97 243 72.5 25.762 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1816 1654.5 2.8 scans 48% 290 m/z 1.3% 0.0188% 959 1.9 95 75609 480741 477884 0-2 8: 290 291 292 158 392 144 115 393 0.798 16.28 -6.6 91 90 60 95 392 16.1 2.837 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5320 1678.8 2.9 scans 74% TIC 1.6% 0.0245% 993 1.2 142 61950 0.119% 627077 627077 3040634 0-0 0.977 16.63 -6.6 93 93 91 93 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1010 Glycerol-P 17.4695 1746.2 2.6 scans 98% 357 m/z 0.043% 2.08% 1082 0.7 1146 2313705 53170617 53115943 1-0 20: 357 299 73 147 358 315 300 445 370 211 101 359 103 133 301 256 129 387 218 131 1.000 16.97 36.7 96 99 99 99 445 177.3 2.395 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4217 1816.4 4.2 scans 95% 73 m/z 0.030% 4.33% 1172 0.4 1299 3289534 110843512 108686642 1-1 20: 73 76 135 120 119 132 149 136 62 74 118 78 58 133 77 90 121 117 137 150 0.988 17.91 38.2 96 99 98 100 327 123.0 0.897 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1012 Phytol 18.5522 1826.3 2.9 scans 97% 68 m/z 0.082% 1.55% 1185 0.6 931 1217462 1.70% 39740846 38856973 43437624 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.2 95 98 99 99 278 53.6 0.332 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1016 Hexadecene 18.6153 1831.1 3.0 scans 90% TIC 0.41% 0.203% 1191 1.5 329 240026 5.81% 5189923 5189923 148454468 0-0 0.994 18.10 38.7 83 83 92 97 280 46.2 1.973 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6406 1833.1 2.6 scans 47% 285 m/z (70) 2.0% 0.0326% 1193 1.1 140 48486 833397 763182 8-1 14: 285 117 132 129 286 145 118 116 287 300 241 257 159 146 0.932 18.73 -6.6 93 95 82 95 300 14.0 1.001 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8457 1848.7 2.7 scans 94% 81 m/z 0.52% 0.246% 1213 1.1 380 191160 6288265 6064462 1-2 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 53 278 111 56 0.997 18.58 20.3 95 93 98 99 278 42.5 1.253 0.267 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9383 1855.8 2.8 scans 75% 73 m/z 1.2% 0.0447% 1222 1.0 160 80832 0.0532% 1143780 1083046 1359342 6-1 20: 73 103 307 217 147 308 218 277 133 309 189 205 74 104 364 219 148 117 191 172 0.996 18.40 40.8 91 96 94 97 364 14.7 0.854 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1018 Fructose 19.0583 1864.9 3.0 scans 35% 73 m/z 1.6% 0.0326% 1233 1.0 133 59481 0.0688% 834910 792296 1757946 0-5 20: 73 103 307 217 147 308 277 218 89 104 309 262 364 148 205 74 189 219 133 117 0.989 18.52 40.6 87 92 92 94 364 13.2 0.984 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BRA4_R~2-N1004 Galactose 19.2593 1880.3 2.7 scans 74% 73 m/z 1.0% 0.0522% 1252 0.9 184 95188 0.0824% 1335039 1251299 2105447 0-1 20: 73 319 205 160 147 320 217 269 103 321 206 207 229 117 74 133 148 89 161 189 0.989 19.36 -7.8 90 89 88 91 364 10.1 0.302 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9085 1931.4 2.6 scans 71% 204 m/z 0.61% 0.0595% 1314 1.0 190 162221 1521762 1361835 3-2 15: 204 159 217 205 206 218 103 191 189 219 291 160 305 203 243 0.942 19.91 -0.3 97 96 93 97 361 9.0 0.224 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7797 2001.5 2.9 scans 94% TIC 0.28% 0.518% 1396 1.0 541 346467 0.555% 13244878 12511213 14181107 1-3 0.999 20.27 41.3 83 83 95 98 322 35.8 0.439 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1038 C16:0 21.1511 2032.7 3.3 scans 97% 313 m/z 0.028% 3.62% 1432 0.4 1338 3546297 92502942 89225040 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 285 1.000 20.62 44.4 94 99 99 100 328 151.0 1.275 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6583 2075.3 2.8 scans 53% 305 m/z 2.4% 0.0287% 1480 0.9 132 41276 735498 699932 2-1 18: 305 217 318 147 191 306 265 319 218 307 320 432 219 148 291 266 433 192 0.980 21.75 -7.6 92 91 78 91 507 7.4 0.310 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9529 2100.1 3.0 scans 73% TIC 1.6% 0.0548% 1508 0.7 181 61070 0.111% 1402444 1299718 2836221 0-1 0.978 22.33 -32.9 94 97 93 97 342 22.2 1.504 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1707 2119.1 2.7 scans 32% 396 m/z 4.8% 0.0101% 1529 1.1 77 20562 0.0114% 258161 258161 291288 0-0 7: 396 219 397 381 398 307 382 0.909 22.19 -1.4 90 90 74 90 396 37.4 23.444 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1040 Phytol 22.6137 2157.8 3.0 scans 90% 143 m/z 0.099% 0.334% 1571 1.0 424 1009281 8551396 7985407 5-2 18: 143 73 75 144 123 81 57 55 145 124 95 103 82 97 83 67 96 68 0.998 22.08 46.3 80 82 90 96 181 0.0 0.000 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1703 2206.7 5.1 scans 94% 75 m/z (357) 0.039% 7.51% 1624 0.3 1565 2521482 8.21% 191944352 184663091 209778173 0-8 20: 75 79 73 95 93 67 108 80 81 107 91 129 55 94 121 335 117 135 149 77 0.996 23.12 4.9 97 98 99 99 350 106.2 0.461 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1036 C18:0 23.4028 2228.0 2.7 scans 94% 341 m/z 0.098% 0.894% 1646 0.8 745 1010833 22849425 22443776 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 201 74 343 116 83 1.000 22.89 46.2 93 99 99 100 356 93.4 1.572 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7069 2255.7 2.9 scans 24% 163 m/z (73) 1.6% 0.0213% 1675 1.0 107 62062 0.0256% 545974 521250 654120 6-0 6: 163 331 164 165 88 178 0.926 23.72 -1.2 90 91 84 94 331 24.7 5.268 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1004 Prostaglandin 23.7532 2260.0 >4 scans 38% TIC 2.7% 0.0119% 1679 0.9 127 35926 0.147% 304482 304482 3756077 0-0 0.909 23.76 -0.4 81 81 70 81 360 10.8 0.728 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1018 myo-Inositol 25.2136 2397.2 3.4 scans 74% TIC 0.64% 0.149% 1818 1.1 283 155923 0.336% 3817312 3786110 8585319 0-1 0.970 25.21 0.4 99 97 96 100 470 19.0 0.453 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6145 2436.8 3.2 scans 61% 91 m/z 0.48% 0.0690% 1856 1.4 187 205271 1765137 1636425 3-3 17: 91 117 194 207 92 115 65 208 193 312 104 118 51 78 178 179 195 0.945 25.61 0.5 98 98 97 98 312 22.1 1.400 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2974 2504.6 3.2 scans 50% TIC 0.95% 0.0465% 1921 1.1 175 104875 1189548 800797 8-0 0.964 25.86 43.9 81 82 85 99 361 9.4 0.289 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5552 2531.2 2.9 scans 32% 512 m/z 1.6% 0.0459% 1945 1.0 162 61488 1174466 1174466 0-0 16: 512 455 247 513 456 514 248 483 263 349 457 423 249 235 484 409 0.954 26.57 -1.9 93 93 79 94 512 58.4 12.932 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9340 2570.4 3.0 scans 92% 371 m/z 0.039% 1.55% 1981 0.6 928 2532464 39642232 38705622 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 103 71 55 116 75 145 117 101 85 1.000 26.39 55.8 90 98 98 100 459 116.6 1.583 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1008 Sucrose 27.4222 2621.5 2.8 scans 62% 361 m/z (397) 0.30% 0.230% 2028 0.8 350 330472 5894905 5226276 0-20 15: 361 217 362 437 363 271 451 218 438 243 169 319 439 452 272 0.970 27.59 -18.0 97 98 93 98 437 62.2 3.154 -0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN LQC1-N1010 Sucrose 27.4222 2621.5 2.8 scans 64% 361 m/z 0.30% 0.223% 2028 0.8 356 331346 5703278 5056385 0-20 15: 361 217 362 437 363 271 451 218 438 243 169 319 439 452 272 0.921 27.58 -16.7 99 98 95 99 437 61.9 3.032 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9115 2673.7 2.8 scans 84% 73 m/z 0.32% 0.402% 2074 1.1 497 309325 0.840% 10286613 9940378 21463297 1-0 20: 73 161 109 57 205 160 145 214 287 147 286 201 75 83 127 186 517 103 172 301 0.990 27.91 0.3 100 99 99 99 662 22.3 0.201 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9841 2681.4 2.9 scans 79% 73 m/z 0.39% 0.276% 2081 0.9 449 250316 1.05% 7067392 7067392 26829121 0-0 20: 73 109 161 205 160 57 214 287 145 147 286 83 186 75 201 517 172 312 103 301 0.994 27.98 0.2 100 99 99 99 662 19.3 0.185 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0367 2687.1 2.9 scans 64% 161 m/z 1.1% 0.100% 2086 1.1 262 87723 0.965% 2573558 2573558 24657240 0-0 15: 161 109 57 287 205 145 160 201 83 517 172 162 182 301 245 0.991 28.03 0.4 98 97 96 98 574 20.3 0.596 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6775 2758.4 2.7 scans 81% 341 m/z 0.32% 0.495% 2147 1.3 544 304766 0.830% 12658445 11753339 21207781 1-0 19: 341 189 117 129 145 188 103 457 57 75 342 357 55 131 71 69 83 97 267 0.991 28.67 1.1 92 90 91 93 457 87.4 2.579 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7311 2764.5 2.9 scans 90% TIC 0.057% 0.994% 2152 0.8 773 1731421 1.43% 25402378 24213962 36538707 0-1 0.998 28.19 60.6 89 98 97 99 487 97.4 1.590 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1034 Nonacosane 29.5087 2851.9 3.0 scans 59% 57 m/z 0.60% 0.0849% 2226 1.1 229 165057 0.0895% 2171310 2001118 2286863 4-7 18: 57 71 85 55 99 56 365 97 83 113 70 127 393 84 366 141 364 58 0.992 29.50 0.4 98 98 98 98 408 6.6 0.084 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8359 2888.7 3.0 scans 82% 57 m/z 0.17% 0.310% 2257 1.0 425 557114 7927554 7532105 2-3 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 141 98 58 112 155 72 0.995 29.83 1.0 96 93 99 100 408 24.6 0.335 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1038 Hexacosanol 30.1790 2928.9 2.8 scans 3.6% 439 m/z (193) 12% 0.00209% 2290 1.0 34 7757 0.00445% 53416 53416 113704 0-0 2: 439 440 0.440 30.17 0.8 86 94 50 94 439 22.9 44.389 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1042 C20:0-2-glycerol 30.3925 2954.2 2.8 scans 78% 189 m/z 0.28% 0.592% 2310 1.1 581 352219 0.639% 15140986 13020765 16327436 1-3 15: 189 369 129 117 145 188 485 103 370 131 385 83 190 98 295 0.990 30.38 1.3 88 82 76 100 485 89.7 2.385 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4220 2957.7 3.1 scans 61% 193 m/z (189) 0.51% 0.225% 2313 0.9 335 195784 5772673 5327880 2-2 15: 193 105 119 163 120 91 194 176 247 515 106 325 164 516 307 0.966 30.36 7.6 85 88 85 89 529 13.5 0.161 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4725 2963.7 3.0 scans 79% 57 m/z 0.16% 0.362% 2318 0.8 444 613271 0.496% 9252444 8512443 12673566 0-2 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 155 0.996 30.46 1.1 99 98 99 100 393 100.5 5.119 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2227 3052.8 3.0 scans 89% 57 m/z 0.063% 1.02% 2389 0.7 762 1582609 26182298 25020486 1-1 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 141 84 155 421 98 394 0.999 31.21 1.3 98 96 99 100 393 114.1 2.241 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1048 Hentriacontane 31.5384 3090.3 3.2 scans 90% 57 m/z 0.043% 1.63% 2419 0.6 913 2304078 41791138 40343879 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 82 0.999 31.53 0.8 100 99 100 99 436 53.0 0.337 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6847 3107.7 6.7 scans 13% 204 m/z 2.1% 0.00958% 2433 0.7 94 46188 0.0743% 244929 232215 1898480 0-1 8: 204 205 217 597 337 73 206 191 0.890 31.68 1.1 81 83 77 82 597 13.1 1.932 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8257 3124.4 3.0 scans 86% 502 m/z 0.058% 0.913% 2446 0.7 712 1703382 23349863 22619240 1-1 18: 502 237 503 73 236 238 504 57 277 221 223 71 208 55 239 74 505 193 0.997 31.79 4.0 100 99 98 100 502 340.0 22.805 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9456 3138.7 3.3 scans 67% 329 m/z 0.66% 0.301% 2458 0.9 397 149857 7697291 6959173 1-1 15: 329 129 368 353 458 95 330 107 119 121 105 328 369 145 93 0.993 31.87 9.3 96 95 95 98 458 56.7 2.038 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1182 3159.2 3.1 scans 68% 57 m/z 0.12% 0.503% 2474 0.8 532 822266 0.574% 12869090 12477693 14666586 3-1 20: 57 71 85 56 421 55 69 83 99 97 70 422 113 420 111 127 84 141 58 155 0.991 32.11 1.0 98 96 99 99 421 117.7 4.903 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1004 Campesterol 32.7895 3238.9 3.4 scans 55% 129 m/z 0.26% 0.676% 2538 0.7 584 374945 0.699% 17279161 15640064 17860529 1-1 19: 129 343 382 472 367 95 107 75 121 119 344 81 383 145 105 342 159 91 109 0.942 32.21 68.8 83 95 83 97 472 89.1 2.332 0.579 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1046 Stigmasterol 32.9957 3263.4 3.5 scans 89% 83 m/z 0.11% 1.86% 2557 0.5 943 839927 47611924 45771399 1-1 20: 83 129 255 55 394 69 484 73 81 75 133 159 145 119 105 107 95 93 355 351 0.997 32.98 1.6 95 93 97 97 665 11.1 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1019 3276.0 3.4 scans 77% TIC 0.096% 0.621% 2568 0.7 611 1035645 2.11% 15874868 15874868 53913757 0-0 0.982 33.10 0.6 88 86 97 93 515 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN WTF2-N1034 b-Sitosterol 33.4808 3321.0 3.6 scans 72% 129 m/z 0.32% 0.793% 2604 0.7 601 310816 1.23% 20264123 16997840 31428399 22-3 20: 129 357 396 486 381 75 73 81 107 95 121 119 57 55 397 145 358 105 356 159 0.983 32.88 71.7 84 96 98 99 486 81.0 1.818 0.604 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5807 3332.9 >4 scans 44% 505 m/z 0.79% 0.208% 2613 1.1 347 125173 1.21% 5338591 5074266 30917368 1-0 20: 505 73 491 271 361 169 109 506 492 223 201 103 127 289 272 507 493 243 273 362 0.948 33.57 1.1 96 95 91 99 505 74.1 4.565 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5891 3333.9 3.4 scans 26% 386 m/z (505) 1.7% 0.159% 2614 1.1 264 57240 0.181% 4064495 3581118 4624829 2-12 7: 386 296 387 281 371 379 394 0.892 33.58 0.6 86 88 82 94 505 8.3 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6333 3339.1 4.1 scans 44% 505 m/z 0.58% 0.183% 2618 1.0 375 169594 0.729% 4700919 4700919 18627075 0-0 19: 505 271 491 361 73 169 109 506 103 223 492 289 272 201 362 507 127 493 243 0.989 33.63 1.0 99 98 96 99 505 101.4 7.296 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7028 3347.4 3.7 scans 46% 505 m/z 0.66% 0.216% 2625 1.1 372 149906 0.926% 5530133 5530133 23660729 0-0 18: 505 271 491 361 109 169 57 506 223 492 272 127 289 507 201 362 83 56 0.923 33.69 1.2 98 98 91 99 505 91.6 6.048 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8890 3369.5 3.5 scans 19% 441 m/z 0.97% 0.0444% 2642 0.9 146 102047 1135093 1112775 1-1 7: 441 442 646 308 647 509 427 0.951 33.80 11.1 93 92 83 96 646 24.7 2.874 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4530 3436.5 4.2 scans 81% 271 m/z 0.22% 1.06% 2696 1.0 664 443113 3.09% 27217338 26136233 78954270 1-0 20: 271 73 331 505 109 361 169 241 223 127 103 506 475 201 272 217 289 199 243 332 0.998 34.59 -16.1 100 98 98 100 596 0.0 0.000 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5235 3444.8 4.1 scans 74% 271 m/z 0.19% 0.999% 2703 0.8 749 521940 2.65% 25537926 25537926 67711590 0-0 20: 271 331 505 73 109 361 241 223 169 506 475 103 127 272 217 201 289 332 199 243 0.998 34.52 0.6 100 99 99 100 505 166.6 4.947 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5814 3451.7 3.8 scans 11% 596 m/z (271) 0.50% 0.0893% 2708 0.9 194 198817 2283074 2159884 3-1 11: 596 597 598 316 599 356 303 600 370 523 412 0.781 34.47 13.0 94 97 76 99 596 116.2 36.026 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN EXBLK5S-N1006 Contamination 6.3625 1047.7 2.1 scans 65% 207 m/z 0.80% 0.0205% 26 1.4 155 124297 0.0221% 677803 673603 730031 0-1 16: 207 73 295 208 209 296 191 297 279 193 189 210 177 119 247 192 0.951 6.63 -15.6 97 97 91 97 295 50.1 10.412 -0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8998 1138.9 2.6 scans 39% 147 m/z 4.9% 0.00287% 172 1.5 60 20179 0.0741% 94877 94877 2447750 0-0 4: 147 148 66 149 0.801 7.79 6.3 84 85 80 88 219 6.2 1.089 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1192 Contamination 8.0597 1148.4 2.5 scans 95% TIC 0.21% 0.211% 188 0.7 391 459098 0.294% 6974297 6305832 9711722 11-0 0.999 7.99 4.2 98 97 97 97 235 78.7 4.059 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1026 Cadaverine NC 8.1271 1152.3 2.3 scans 93% 174 m/z 0.29% 0.0669% 194 1.0 255 341406 0.167% 2211906 2178178 5516522 0-1 20: 174 73 175 216 86 142 59 176 100 160 130 217 74 131 143 218 231 158 101 146 0.998 7.74 23.1 95 93 92 99 216 60.1 5.547 0.391 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1188 Contamination 8.3091 1163.1 2.3 scans 80% 281 m/z 1.6% 0.0194% 211 1.2 137 59181 641541 632658 0-1 19: 281 147 369 282 283 370 152 265 207 249 148 371 149 191 284 193 266 133 251 0.966 8.41 -6.3 97 95 77 99 369 38.4 7.921 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1186 Phosphate 8.5722 1178.7 2.2 scans 91% 241 m/z 0.36% 0.0495% 236 1.1 219 270329 1638104 1539222 1-1 19: 241 242 133 211 163 256 243 73 195 135 98 59 89 137 119 121 181 212 164 0.999 8.56 0.7 100 99 98 99 299 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1180 Benzoic acid 9.7296 1246.7 2.7 scans 49% 179 m/z 4.7% 0.00588% 346 1.5 68 21051 0.00830% 194239 187379 274174 1-1 8: 179 105 135 77 180 194 51 181 0.928 9.76 -1.8 90 90 79 94 194 9.0 1.747 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN VEN77_S6-N1002 Glycerol 10.0800 1267.2 4.7 scans 87% 299 m/z 0.013% 3.23% 380 0.4 1259 7672009 106772584 106727044 1-0 20: 299 73 300 314 301 133 207 283 315 211 193 191 74 316 135 75 59 131 225 115 0.940 10.09 -0.8 100 99 97 99 299 729.1 33.697 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LACTIC~1-N1034 Glycerol 10.0852 1267.5 2.5 scans 10% 147 m/z (299) 0.15% 0.280% 380 0.6 431 640482 9279426 8506339 6-0 20: 147 205 103 117 206 148 149 204 129 177 101 219 203 118 104 89 217 116 175 220 0.723 10.11 -1.5 86 91 53 92 293 29.6 0.471 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7081 1304.1 2.6 scans 72% 199 m/z 1.0% 0.0500% 439 1.0 198 94613 1654002 1596046 5-0 15: 199 75 117 145 132 200 129 131 74 118 61 76 201 155 119 0.928 10.73 -1.5 95 94 90 98 209 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1168 Glyceric acid 10.9796 1320.4 2.6 scans 58% 73 m/z 3.9% 0.00704% 465 1.3 85 25077 0.0103% 232647 229870 340241 1-0 16: 73 189 292 147 103 205 133 190 102 148 293 215 307 117 74 59 0.994 11.05 -4.5 90 89 85 92 292 26.5 9.667 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0427 1324.2 2.6 scans 36% 184 m/z 6.8% 0.00497% 471 0.9 66 14503 0.00820% 164187 162636 270871 1-0 8: 184 134 285 174 77 86 59 100 0.974 11.06 -1.3 89 90 78 90 285 22.3 11.570 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1162 Fumaric acid 11.3079 1340.2 2.3 scans 19% 245 m/z 11% 0.00105% 496 1.2 32 8426 34865 34865 0-0 2: 245 246 0.882 11.39 -5.1 84 89 56 89 245 24.2 56.537 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4120 1346.5 3.0 scans 26% 57 m/z (84) 0.44% 0.0849% 506 0.8 232 227112 0.113% 2806062 2605547 3732737 2-0 20: 57 97 115 145 127 129 69 111 109 128 59 72 71 58 98 87 201 113 114 96 0.938 11.45 -2.0 94 96 95 98 145 70.5 9.191 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4510 1348.8 3.4 scans 96% TIC 0.020% 1.56% 510 0.5 989 4992528 51748787 47918435 3-3 0.997 10.96 29.8 96 97 96 98 161 257.3 6.770 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1146 Malic acid 13.4722 1473.8 2.4 scans 95% 73 m/z 0.16% 0.187% 702 1.0 417 611259 6194148 6158804 1-0 20: 73 147 233 245 133 189 148 190 75 74 191 175 149 55 335 101 234 59 217 265 0.996 13.62 -9.0 99 98 97 98 350 8.3 0.039 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9668 1505.2 2.9 scans 33% 156 m/z 3.6% 0.00500% 749 1.1 62 27275 165192 156079 1-1 4: 156 157 258 230 0.964 14.11 -9.5 90 90 82 92 273 0.0 0.000 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2824 1526.1 2.6 scans 69% 263 m/z 0.44% 0.0425% 779 1.0 192 225534 1404654 1349865 1-1 17: 263 264 278 447 265 279 448 175 74 91 449 207 247 266 280 107 191 0.985 14.33 -2.9 87 82 86 98 278 48.4 6.355 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6823 1552.6 3.1 scans 87% TIC 0.38% 0.0623% 817 1.5 220 257141 0.203% 2059069 2026915 6705713 3-0 0.998 14.16 34.3 90 91 90 98 250 41.1 3.481 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1044 Dodecanol 14.7307 1555.8 >3 scans 78% TIC 1.3% 0.0271% 822 1.4 144 75563 0.160% 896876 896876 5285291 0-0 0.996 14.24 32.4 93 95 91 97 243 72.4 25.394 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1922 1655.2 2.8 scans 46% 290 m/z 1.2% 0.0160% 960 1.8 101 79094 531598 519044 1-0 7: 290 291 292 392 144 115 393 0.778 16.28 -5.9 89 86 57 95 392 16.2 2.565 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5446 1679.7 2.9 scans 70% TIC 1.8% 0.0147% 994 1.2 135 55369 0.0980% 487185 487185 3237241 0-0 0.992 16.63 -5.7 90 89 90 89 210 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1010 Glycerol-P 17.4843 1747.2 3.0 scans 96% 357 m/z 0.038% 2.07% 1083 0.6 1224 2585666 68651238 66533249 1-1 20: 357 299 73 358 147 315 300 211 359 101 103 301 133 256 129 218 328 446 131 75 1.000 16.97 37.7 96 99 99 99 445 192.1 2.466 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4344 1817.3 4.0 scans 94% TIC 0.031% 3.30% 1174 0.5 1305 3209264 109143159 104735105 1-2 0.993 17.91 39.1 95 99 98 100 327 122.9 0.888 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1012 Phytol 18.5691 1827.6 3.4 scans 98% 68 m/z 0.070% 1.64% 1186 0.5 1026 1424548 1.79% 54478062 53722334 59129191 1-1 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 39.5 94 98 99 99 278 59.9 0.340 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1016 Hexadecene 18.6290 1832.2 2.6 scans 85% 70 m/z 0.27% 0.177% 1192 0.9 390 368112 1.03% 5868268 5430543 34024060 0-1 18: 70 69 57 55 71 83 56 111 125 97 126 280 84 85 67 140 112 98 0.973 18.10 39.8 86 87 96 97 280 58.6 2.260 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6533 1834.0 2.7 scans 33% 285 m/z (70) 1.9% 0.0264% 1194 1.1 144 50018 875044 873815 1-0 15: 285 117 132 145 286 287 118 116 300 61 201 241 257 76 130 0.954 18.73 -5.7 93 95 82 95 300 13.9 0.929 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1076 Pregnane?? 18.7742 1843.3 2.7 scans 81% 345 m/z 0.86% 0.0533% 1206 1.0 215 116044 1762580 1686929 1-1 19: 345 73 147 255 346 347 334 256 435 74 148 372 133 257 419 239 149 243 348 0.996 18.86 -6.4 94 93 87 93 537 12.1 0.317 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8584 1849.7 2.6 scans 94% 81 m/z 0.36% 0.251% 1214 1.0 462 274923 8320684 7900037 1-3 20: 81 82 68 95 57 123 55 69 83 67 79 71 96 124 97 109 53 110 56 111 0.998 18.58 21.3 96 94 98 99 278 52.0 1.264 0.279 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1072 Fructose 18.9468 1856.4 2.7 scans 80% 73 m/z 0.59% 0.0695% 1222 1.0 238 169049 2296591 2175271 8-1 20: 73 103 307 217 147 308 218 277 133 309 189 104 205 74 364 117 89 148 219 172 0.992 19.03 -6.6 93 92 93 92 364 22.6 0.900 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1018 Fructose 19.0668 1865.6 2.8 scans 53% 73 m/z 0.78% 0.0545% 1234 1.2 203 127521 1801979 1707837 1-2 20: 73 307 103 217 147 308 277 218 309 364 104 205 89 74 262 189 219 148 117 133 0.992 18.52 41.3 87 90 92 96 364 20.5 1.019 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1002 Phytol 18.8min 19.1057 1868.6 3.0 scans 96% TIC 0.19% 0.596% 1237 0.6 636 521743 19687962 17892517 1-1 0.999 18.84 20.3 93 91 98 92 278 83.8 1.740 0.266 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BRA4_R~2-N1004 Galactose 19.2698 1881.1 2.7 scans 84% 73 m/z 0.46% 0.0956% 1253 1.0 283 216476 0.111% 3159125 2979665 3666670 8-1 20: 73 319 205 147 160 320 217 103 206 321 117 74 229 133 189 148 207 157 161 129 0.994 19.36 -7.0 96 94 94 98 364 17.9 0.400 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9211 1932.4 2.7 scans 86% 204 m/z (69) 0.38% 0.0891% 1315 1.2 260 256696 2946426 2750732 3-1 16: 204 217 159 205 147 206 129 218 103 189 191 160 305 219 291 203 0.990 19.91 0.7 94 94 94 99 361 11.8 0.206 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2821 1961.4 2.6 scans 15% 204 m/z 4.4% 0.00402% 1349 1.2 61 22230 132900 124480 1-2 6: 204 191 205 217 206 192 0.794 20.41 -10.6 82 83 66 82 217 16.7 7.529 -0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7955 2002.8 2.9 scans 95% TIC 0.17% 0.629% 1398 0.9 710 571961 0.673% 20790799 20115620 22231254 1-2 0.999 20.27 42.6 82 82 94 98 322 47.5 0.447 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1038 C16:0 21.1638 2033.8 3.4 scans 98% 117 m/z 0.026% 3.08% 1433 0.5 1417 3761890 101827147 101811045 1-0 20: 117 313 73 75 132 129 145 314 55 131 118 133 328 57 69 201 74 315 269 116 1.000 20.62 45.5 94 99 99 100 328 158.1 1.246 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6688 2076.2 2.7 scans 81% 305 m/z 0.57% 0.119% 1481 1.1 316 173861 3951810 3673617 2-1 17: 305 217 147 318 191 306 319 265 218 204 307 432 320 433 148 367 219 0.992 21.75 -6.7 97 96 95 96 507 19.8 0.391 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9645 2101.1 3.2 scans 71% TIC 1.4% 0.0517% 1509 0.9 193 66983 0.107% 1709692 1507278 3534538 1-1 0.972 22.33 -31.9 94 97 93 98 342 23.6 1.485 -0.365 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1844 2120.3 3.0 scans 20% 396 m/z 6.6% 0.00561% 1530 1.0 64 15102 0.00696% 185524 179211 229910 1-0 7: 396 219 397 381 220 398 307 0.891 22.19 -0.2 87 88 69 88 396 32.3 25.180 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1040 Phytol 22.6263 2158.9 3.1 scans 89% 143 m/z 0.074% 0.344% 1572 1.0 493 1336599 11392088 10951220 4-1 17: 143 73 75 144 123 81 55 145 124 95 103 82 97 83 67 74 68 0.993 22.08 47.4 80 82 89 96 181 8.4 0.029 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1924 2208.7 6.7 scans 93% 75 m/z 0.039% 7.40% 1626 0.3 1588 2551156 8.03% 244703188 231249583 265255532 0-8 20: 75 79 73 95 67 93 108 81 80 55 129 91 117 107 94 121 339 135 77 149 0.993 23.12 6.9 98 97 99 97 350 115.6 0.530 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1036 C18:0 23.4187 2229.4 2.8 scans 93% 341 m/z 0.085% 0.843% 1647 0.8 810 1167714 27850852 27357253 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 201 74 343 297 83 1.000 22.89 47.6 93 99 99 100 356 101.4 1.568 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7217 2257.1 3.0 scans 13% 163 m/z 2.1% 0.00947% 1676 1.1 84 46315 0.0130% 312874 299543 429430 2-0 6: 163 331 164 165 88 332 0.536 23.72 0.2 88 91 58 92 331 20.9 6.170 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1541 2296.6 3.2 scans 37% 204 m/z (333 117) 1.0% 0.0289% 1717 1.0 141 91019 0.0388% 957885 948532 1281683 1-1 17: 204 205 337 217 147 103 206 338 219 218 191 361 243 203 339 189 231 0.932 24.18 -2.5 86 90 83 90 581 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1541 2296.6 3.2 scans 30% 204 m/z (333) 1.0% 0.0236% 1717 1.0 127 92509 0.0316% 780078 772462 1043845 1-1 17: 204 205 337 217 147 103 206 338 219 218 191 361 243 203 339 189 231 0.916 24.01 13.1 84 86 68 88 490 0.0 0.000 0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1018 myo-Inositol 25.2242 2398.2 3.5 scans 73% TIC 0.52% 0.142% 1819 1.2 323 191040 0.370% 4705111 4535926 12222235 0-2 0.968 25.21 1.4 97 95 94 100 470 22.4 0.483 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6325 2438.6 3.5 scans 47% 91 m/z 0.67% 0.0415% 1858 1.4 158 148513 0.0501% 1371801 1230913 1654957 5-3 15: 91 117 194 207 92 208 115 193 65 312 104 118 51 178 63 0.945 25.61 2.3 97 97 96 97 312 19.3 1.483 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5710 2532.9 3.0 scans 30% 512 m/z 1.6% 0.0379% 1947 1.1 166 59316 1253431 1253431 0-0 16: 512 455 247 513 456 514 483 263 248 349 497 484 235 423 409 424 0.952 26.57 -0.2 93 93 78 94 512 60.5 13.281 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9467 2571.7 3.0 scans 93% 371 m/z 0.036% 1.35% 1983 0.7 980 2771415 44616797 43844112 1-1 20: 371 372 73 147 57 129 205 203 239 373 459 71 55 103 116 145 75 313 85 117 1.000 26.39 57.1 90 98 98 100 459 122.2 1.558 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN LQC1-N1008 Sucrose 27.4349 2622.8 3.0 scans 71% 361 m/z 0.16% 0.320% 2029 1.0 479 600730 10578015 9265629 1-20 17: 361 217 362 147 437 363 103 271 451 218 169 438 243 319 439 364 452 0.969 27.59 -16.7 99 98 95 99 437 85.0 3.147 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.8526 2667.4 3.2 scans 81% 73 m/z 0.37% 0.306% 2069 1.1 473 266544 2.18% 10110586 9781284 72012087 1-0 20: 73 161 109 57 205 160 145 214 287 147 286 127 201 75 186 517 172 312 301 162 0.998 27.91 -6.0 100 99 99 99 662 20.5 0.189 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.1262 2696.6 3.4 scans 73% TIC 0.48% 0.181% 2095 0.9 377 205626 1.98% 5993315 5730298 65405474 0-3 0.988 28.03 9.9 95 92 93 99 574 30.7 0.665 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.4134 2728.7 3.2 scans 51% 399 m/z 0.89% 0.0780% 2122 1.1 230 111686 2579600 2541133 0-2 7: 399 400 487 401 488 369 489 0.906 28.19 24.8 94 95 90 95 487 28.7 1.554 0.220 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1030 C18:0-2-glycerol 28.7028 2761.3 4.3 scans 93% TIC 0.14% 1.24% 2149 1.0 865 704339 2.06% 41268415 40799877 68048119 1-0 0.999 28.67 4.0 92 90 91 95 457 140.2 2.627 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1034 Nonacosane 29.5246 2853.7 >5 scans 48% TIC 1.0% 0.0284% 2228 1.2 183 98082 0.0889% 940040 812719 2936640 0-2 0.974 29.50 2.2 90 89 96 95 408 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8486 2890.2 3.5 scans 50% 57 m/z 0.64% 0.0836% 2258 1.1 222 154433 2764443 2333442 4-6 14: 57 71 85 99 56 70 113 127 84 141 86 112 58 72 0.980 29.83 2.5 91 90 97 96 408 13.6 0.378 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1042 C20:0-2-glycerol 30.4126 2956.6 3.2 scans 84% 204 m/z 0.12% 1.15% 2312 1.7 872 831946 1.22% 38172584 34588423 40300342 1-4 17: 204 435 217 436 361 243 437 271 181 388 305 244 317 289 438 467 306 0.918 30.38 3.7 91 86 83 100 485 139.7 2.565 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4410 2960.0 4.5 scans 35% 193 m/z (189) 0.68% 0.174% 2315 1.1 285 145933 5755000 5388888 3-1 12: 193 119 105 163 120 194 176 515 247 516 529 517 0.823 30.36 9.9 84 89 83 88 529 12.6 0.195 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4894 2965.7 3.7 scans 66% 57 m/z 0.25% 0.207% 2319 1.2 361 397602 0.447% 6863391 6306652 14765781 0-2 20: 57 71 56 85 393 55 99 69 83 70 97 392 394 113 127 111 141 365 84 58 0.996 30.46 3.1 99 98 99 99 393 83.3 5.328 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2407 3054.9 3.3 scans 88% 57 m/z 0.062% 0.913% 2391 0.6 775 1601363 1.06% 30175536 29345832 35015052 1-1 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 141 84 421 155 394 98 0.998 31.21 3.4 99 97 99 100 393 117.7 2.309 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1048 Hentriacontane 31.5395 3090.4 3.2 scans 83% 57 m/z 0.069% 0.739% 2419 0.8 723 1443437 24412162 24041719 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 72 0.997 31.53 0.9 97 96 99 98 436 40.6 0.315 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6973 3109.2 8.0 scans 12% 204 m/z 2.0% 0.00845% 2434 1.2 101 49737 0.0753% 279335 264400 2487390 0-1 6: 204 597 205 337 217 73 0.818 31.68 2.6 80 83 75 81 597 12.5 1.540 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8331 3125.3 3.0 scans 76% 502 m/z 0.10% 0.356% 2447 1.0 517 915461 11768549 11719741 0-1 16: 502 237 503 73 236 504 238 277 221 223 208 74 239 505 193 224 0.989 31.79 4.9 100 99 98 100 502 251.8 23.747 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9656 3141.0 3.7 scans 73% 329 m/z 0.41% 0.434% 2460 1.0 512 242274 14358428 13716927 1-3 15: 329 129 368 353 458 95 330 119 107 121 328 105 369 145 91 0.993 31.87 11.6 95 93 94 97 458 74.5 2.117 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1351 3161.2 3.2 scans 73% 57 m/z 0.085% 0.607% 2476 0.8 651 1175098 20077883 19810056 1-1 20: 57 71 85 56 421 55 83 69 99 97 70 113 422 420 111 127 84 141 58 155 0.994 32.11 3.0 97 95 98 99 421 147.3 5.124 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1004 Campesterol 32.8032 3240.5 3.7 scans 52% 129 m/z (57) 0.30% 0.566% 2539 0.7 558 332344 0.604% 18722095 17282889 19951973 0-1 19: 129 343 382 472 367 95 145 75 344 107 121 383 119 105 342 81 159 91 161 0.948 32.21 70.4 82 96 84 97 472 86.6 2.413 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1046 Stigmasterol 33.0094 3265.0 3.2 scans 89% 83 m/z (309) 0.11% 1.47% 2559 0.5 982 891559 48607636 48607636 0-0 19: 83 129 255 55 394 484 69 81 133 75 159 145 119 107 93 95 105 351 97 0.999 32.98 3.2 93 92 97 97 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1178 3277.9 3.1 scans 78% 57 m/z 0.073% 0.684% 2569 0.8 709 1352173 22618307 20896854 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 82 125 0.992 33.10 2.5 91 88 98 94 515 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN WTF2-N1034 b-Sitosterol 33.4966 3322.9 3.6 scans 75% 129 m/z 0.26% 0.631% 2605 0.8 643 371466 20857487 20119193 1-0 19: 129 357 396 486 381 95 57 75 107 121 119 397 81 358 145 105 356 55 159 0.995 32.88 73.6 85 97 98 99 486 89.4 1.932 0.620 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.6029 3335.5 >4 scans 69% 505 m/z 0.30% 0.587% 2615 1.0 589 325878 3.09% 19391335 19027533 102072179 2-0 20: 505 73 271 491 506 169 103 109 492 127 507 272 362 223 289 243 201 273 147 493 0.994 33.57 3.7 97 95 96 99 505 128.8 4.784 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6092 3336.2 3.5 scans 22% 386 m/z (505) 1.0% 0.192% 2616 1.1 332 94182 0.220% 6368870 5588313 7267275 2-5 6: 386 296 281 387 371 211 0.881 33.58 2.9 87 90 80 94 505 11.1 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6555 3341.7 5.1 scans 46% 505 m/z 0.29% 0.285% 2620 1.1 561 340100 1.48% 9440843 9440843 48888940 0-0 20: 505 271 491 361 73 169 506 109 223 103 492 289 362 272 201 507 127 243 147 217 0.988 33.63 3.6 99 98 96 100 505 152.1 7.345 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7239 3349.9 4.4 scans 64% 505 m/z 0.24% 0.531% 2627 1.0 635 400289 2.36% 17562521 17562521 77958039 0-0 20: 505 271 73 491 361 109 169 506 103 223 492 289 272 362 507 127 83 201 243 493 0.987 33.69 3.7 98 96 96 100 505 154.3 5.904 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9080 3371.7 3.8 scans 12% 441 m/z 1.2% 0.0244% 2644 1.0 119 77670 809209 782533 1-1 5: 441 442 646 308 443 0.936 33.80 13.3 92 92 78 94 646 19.1 2.568 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4856 3440.3 >6 scans 86% 271 m/z 0.11% 2.01% 2699 0.9 954 837669 5.60% 66399844 63412694 184985178 1-0 20: 271 331 505 73 109 361 241 223 169 506 127 475 103 217 272 201 289 332 199 243 0.999 34.52 -3.9 100 99 99 100 505 215.5 5.108 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6056 3454.6 4.5 scans 8.3% 596 m/z 0.44% 0.0752% 2710 0.8 193 226752 2486721 2403517 1-1 8: 596 597 598 316 356 600 370 581 0.970 34.47 15.9 95 95 73 96 596 125.3 42.263 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.6277 3457.2 3.9 scans 79% 271 m/z (596) 0.16% 1.11% 2713 0.9 810 601561 5.86% 36795827 34903065 193573776 0-1 20: 271 505 73 331 109 361 241 223 169 506 475 103 217 272 127 332 289 201 199 243 0.997 34.59 4.6 98 98 99 100 596 8.5 0.000 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN EXBLK5S-N1006 Contamination 6.3742 1048.4 2.1 scans 61% 207 m/z 0.63% 0.0271% 27 1.4 161 162299 0.0276% 914543 912536 929284 0-2 19: 207 295 208 209 296 191 297 279 193 189 133 210 177 298 280 247 192 119 263 0.951 6.63 -14.9 98 97 91 97 295 53.9 11.264 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1192 Contamination 8.0956 1150.5 2.5 scans 96% TIC 0.10% 0.402% 191 1.3 535 973532 0.453% 13556011 11869533 15252372 1-2 0.999 7.99 6.3 96 94 96 95 235 110.0 4.227 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1026 Cadaverine NC 8.1313 1152.6 2.4 scans 59% 174 m/z (147) 0.58% 0.0294% 194 1.1 150 176735 0.0383% 993008 958921 1289549 0-1 13: 174 175 216 142 176 130 217 218 143 231 158 177 172 0.961 7.74 23.4 90 91 73 95 216 38.9 6.724 0.395 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1188 Contamination 8.3144 1163.5 2.7 scans 80% TIC 1.6% 0.0289% 212 1.1 128 61244 0.0331% 975798 887148 1114467 0-10 0.973 8.41 -5.9 98 97 79 99 369 36.6 8.114 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1186 Phosphate 8.6048 1180.7 2.4 scans 92% TIC 0.25% 0.0820% 239 1.2 251 404951 2762090 2447644 1-9 0.998 8.56 2.7 100 99 99 100 299 0.0 0.000 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1180 Benzoic acid 9.7454 1247.7 3.2 scans 49% 179 m/z 6.1% 0.00560% 348 0.7 59 16747 0.00681% 188664 179125 229291 3-2 6: 179 105 135 77 180 194 0.901 9.76 -0.8 84 80 82 96 194 7.6 1.674 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN VEN77_S6-N1002 Glycerol 10.0958 1268.2 4.9 scans 96% 299 m/z 0.012% 3.92% 381 0.3 1275 8309979 132233407 128490661 1-1 20: 299 73 300 314 301 133 283 207 315 211 193 191 135 74 225 75 131 284 59 115 0.998 10.09 0.2 98 96 91 99 299 709.8 31.153 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5682 1295.8 2.6 scans 41% 147 m/z 2.6% 0.00670% 426 0.8 69 38739 0.0113% 225854 205476 380468 2-8 6: 147 245 148 149 198 115 0.960 10.60 -2.0 85 86 70 85 245 18.2 7.052 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7166 1304.6 2.9 scans 77% 199 m/z (69 175) 1.1% 0.0551% 440 0.8 186 92304 1855669 1814349 4-0 14: 199 75 117 145 132 129 200 131 61 74 118 76 201 155 0.986 10.73 -1.0 94 97 95 99 209 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0491 1324.6 2.9 scans 82% TIC 1.3% 0.0390% 472 0.7 159 78168 0.0606% 1315142 1312136 2040383 0-2 0.969 11.06 -0.9 98 98 95 99 285 47.3 8.882 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1162 Fumaric acid 11.3132 1340.5 2.4 scans 31% 245 m/z (84) 6.1% 0.00320% 497 1.1 51 16689 107794 107794 0-0 3: 245 246 247 0.931 11.39 -4.8 91 93 78 93 245 31.8 39.584 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4121 1346.5 3.7 scans 50% 57 m/z (84) 0.50% 0.100% 506 0.8 205 202763 0.106% 3371575 2954694 3568988 5-0 15: 57 97 115 145 127 129 111 109 128 72 98 201 113 114 110 0.956 11.45 -2.0 95 97 96 98 145 60.3 8.647 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4542 1349.0 3.3 scans 95% 84 m/z 0.027% 1.05% 510 0.6 791 3673053 35627177 34767873 1-3 20: 84 133 162 161 119 92 118 85 82 65 51 130 134 78 117 63 55 120 91 52 0.996 10.96 30.0 96 97 96 98 161 208.5 6.949 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN TAB_REP6-N1026 Malic acid 13.4733 1473.8 2.4 scans 96% 73 m/z 0.089% 0.349% 702 1.0 535 1144013 11777215 11456763 1-1 20: 73 147 233 245 133 189 190 148 75 74 191 175 335 55 101 149 234 59 265 217 0.998 13.53 -3.8 100 99 99 99 335 65.5 1.501 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9689 1505.3 2.8 scans 31% 156 m/z 3.3% 0.00544% 749 1.0 62 30765 183328 183328 0-0 5: 156 157 258 230 199 0.894 14.11 -9.4 88 88 79 92 273 0.0 0.000 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2814 1526.0 2.6 scans 51% 263 m/z (71) 0.63% 0.0246% 779 1.0 136 161197 830992 814390 1-0 17: 263 264 278 447 265 448 279 175 335 207 247 343 151 191 128 149 266 0.987 14.33 -3.0 82 79 75 97 278 35.4 6.739 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1044 Dodecanol 14.7297 1555.7 2.7 scans 72% 243 m/z 1.1% 0.0273% 821 0.9 137 91838 921250 898603 4-0 17: 243 75 244 103 97 89 245 83 101 61 76 115 111 59 74 104 87 0.969 14.24 32.3 94 96 93 98 243 74.6 29.646 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1901 1655.1 2.8 scans 48% 290 m/z 1.0% 0.0180% 960 1.9 104 95248 607129 607129 0-0 9: 290 291 292 144 392 293 393 115 100 0.709 16.28 -6.0 90 89 59 96 392 16.1 2.391 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5447 1679.7 2.8 scans 82% 55 m/z 0.78% 0.0569% 994 1.4 199 130955 0.0707% 1918899 1782125 2380447 0-6 18: 55 83 69 56 97 70 84 111 82 127 98 68 113 54 140 96 67 112 0.975 16.63 -5.7 95 95 93 94 210 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1010 Glycerol-P 17.4812 1747.0 2.7 scans 98% 357 m/z 0.032% 2.13% 1083 0.6 1250 3124087 71981275 71913682 1-0 20: 357 299 73 147 358 315 300 370 445 211 359 101 103 301 129 256 387 133 218 328 1.000 16.97 37.5 96 99 99 99 445 195.6 2.453 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5527 1752.2 2.5 scans 53% 217 m/z 1.6% 0.0204% 1090 1.0 124 63937 0.168% 689924 651993 5656509 1-1 10: 217 218 450 219 191 305 232 257 148 451 0.990 17.63 -5.8 83 82 72 84 450 17.2 1.911 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN TAB_REP6-N1048 Citric acid 18.2398 1802.5 2.5 scans 26% 273 m/z 4.8% 0.00548% 1155 1.0 67 21028 184682 184682 0-0 10: 273 363 274 347 465 275 257 211 221 348 0.759 18.24 -0.3 81 84 45 85 465 12.8 3.697 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4313 1817.1 4.4 scans 95% 73 m/z 0.029% 3.49% 1173 0.5 1249 3495659 117715890 115480729 1-1 20: 73 76 135 120 119 132 149 136 62 74 78 58 213 133 90 121 117 137 150 106 0.993 17.91 38.9 95 99 98 99 327 120.0 0.924 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1012 Phytol 18.5639 1827.2 2.9 scans 97% 68 m/z 0.072% 1.39% 1186 0.6 956 1414244 1.55% 46821439 45884802 52188026 1-0 20: 68 95 82 69 57 123 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.1 94 98 99 99 278 56.6 0.351 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1016 Hexadecene 18.6270 1832.0 2.6 scans 88% 70 m/z 0.29% 0.180% 1192 1.0 367 346431 1.22% 6081113 5767325 41077027 0-1 20: 70 69 55 57 71 83 56 111 125 97 126 280 84 85 140 67 112 68 82 98 0.996 18.10 39.6 82 81 91 97 280 54.4 2.201 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6502 1833.8 2.7 scans 47% 285 m/z 1.5% 0.0331% 1194 1.0 154 66807 0.388% 1117275 974992 13063841 12-1 14: 285 117 132 129 286 145 118 287 300 201 61 116 257 241 0.997 18.73 -5.9 95 95 82 95 300 15.8 1.048 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8543 1849.4 2.7 scans 93% 81 m/z 0.44% 0.223% 1213 1.0 393 229609 7512612 7175654 1-2 20: 81 82 68 95 57 123 69 55 83 67 79 71 96 97 124 109 278 110 56 53 0.997 18.58 21.0 96 93 98 99 278 45.4 1.331 0.275 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9437 1856.2 2.9 scans 82% TIC 0.60% 0.0643% 1222 0.9 223 170873 0.277% 2167044 2025670 9326505 0-1 0.994 18.40 41.2 92 95 96 99 364 21.0 0.892 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1072 Fructose 18.9437 1856.2 2.7 scans 81% 73 m/z 0.61% 0.0675% 1222 0.9 221 165927 2275778 2092561 8-1 20: 73 103 307 217 147 308 218 277 133 104 74 189 205 309 364 117 89 172 148 219 0.995 19.03 -6.8 93 92 93 92 364 21.0 0.904 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1002 Phytol 18.8min 19.1015 1868.2 2.9 scans 96% TIC 0.20% 0.524% 1237 0.6 584 500166 17645034 17129997 1-1 0.999 18.84 19.9 93 91 98 92 278 78.5 1.805 0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1064 Mannose 19.2636 1880.6 2.7 scans 82% 73 m/z 0.53% 0.0895% 1252 1.0 252 193831 0.0942% 3014949 2975345 3171685 1-0 20: 73 319 205 160 147 320 217 103 321 206 117 74 161 229 189 133 148 207 157 129 0.988 19.45 -14.6 96 95 94 95 319 91.5 13.191 -0.191 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BRA4_R~2-N1004 Galactose 19.5130 1899.6 2.9 scans 63% 319 m/z 2.2% 0.0289% 1276 0.9 144 46260 0.0347% 974546 970771 1168338 1-1 8: 319 205 160 320 103 321 89 229 0.982 19.36 11.5 85 84 62 86 364 0.0 0.000 0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9181 1932.2 2.8 scans 81% 204 m/z 0.27% 0.119% 1315 1.1 280 380003 4022764 3701962 2-3 17: 204 217 205 159 147 206 129 218 103 191 189 160 133 219 305 291 203 0.986 19.91 0.5 96 93 94 99 361 13.5 0.232 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2747 1960.8 3.7 scans 31% TIC 3.0% 0.00502% 1348 0.7 84 33366 0.0666% 169145 169145 2242402 0-0 0.655 20.41 -11.2 81 82 78 82 217 19.6 5.414 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7935 2002.6 2.9 scans 94% TIC 0.20% 0.571% 1398 0.8 622 499142 0.645% 19254165 18339714 21716953 1-3 0.999 20.27 42.4 82 81 94 98 322 42.8 0.473 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1038 C16:0 21.1702 2034.3 3.9 scans 97% 313 m/z 0.023% 3.81% 1434 0.3 1373 4340367 128618047 125741716 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 315 201 57 69 269 74 285 1.000 20.62 46.0 94 99 99 100 328 160.5 1.369 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6636 2075.8 2.8 scans 50% 305 m/z 1.4% 0.0412% 1480 1.0 166 68768 1388749 1325268 4-1 19: 305 217 318 147 191 306 319 265 218 204 307 432 320 291 433 367 192 219 266 0.944 21.75 -7.1 94 93 80 94 507 11.7 0.498 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9635 2101.0 3.3 scans 71% TIC 1.2% 0.0582% 1509 0.8 201 85460 0.129% 1962670 1800597 4343391 0-1 0.974 22.33 -32.0 95 97 94 98 342 25.7 1.622 -0.366 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1824 2120.1 3.1 scans 32% 396 m/z 3.7% 0.0117% 1530 1.1 86 27270 0.0152% 396523 396523 511779 0-0 11: 396 219 397 381 398 220 307 191 382 249 221 0.885 22.19 -0.4 90 90 75 91 396 40.7 22.196 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3991 2139.1 3.0 scans 30% 204 m/z (156) 4.0% 0.00884% 1550 1.1 70 25568 0.0857% 297776 261463 2885493 4-3 4: 204 249 205 206 0.879 22.71 -27.4 86 91 84 91 518 0.0 0.000 -0.315 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1925 2208.7 6.4 scans 93% 75 m/z 0.037% 7.21% 1626 0.3 1538 2747463 8.06% 242910356 239132936 271377737 0-1 20: 75 79 73 95 93 67 108 81 80 335 91 129 55 107 94 121 117 77 135 149 0.994 23.12 6.9 97 97 99 97 350 108.8 0.500 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1036 C18:0 23.4177 2229.3 2.8 scans 92% 341 m/z 0.077% 0.855% 1647 0.8 784 1333151 28803386 27978919 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 343 201 74 297 116 0.999 22.89 47.5 93 99 98 99 356 101.4 1.675 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7207 2257.0 2.8 scans 16% 163 m/z 1.1% 0.0196% 1676 1.0 112 90153 0.0263% 660459 551162 885513 6-12 6: 163 331 164 165 332 88 0.594 23.72 0.1 87 89 61 93 331 28.3 6.377 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1500 2296.3 3.2 scans 31% 204 m/z 0.77% 0.0353% 1717 0.8 146 132812 0.0446% 1189933 1020760 1501668 0-9 18: 204 217 205 337 147 103 206 218 219 338 191 361 339 243 101 362 220 231 0.736 24.18 -2.8 88 90 70 90 581 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1018 myo-Inositol 25.2190 2397.7 3.6 scans 71% TIC 0.67% 0.119% 1818 1.3 271 152069 0.324% 4014472 4014472 10908981 0-0 0.974 25.21 0.9 98 96 95 100 470 19.0 0.492 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6294 2438.3 3.3 scans 49% 91 m/z 0.63% 0.0424% 1857 1.5 156 162876 0.0528% 1430230 1273649 1777760 6-3 15: 91 117 194 207 92 208 65 193 115 312 104 118 51 179 63 0.980 25.61 2.0 97 97 96 96 312 18.6 1.421 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3091 2505.8 3.0 scans 57% 204 m/z 0.47% 0.0895% 1922 1.0 230 217047 3015392 2295679 22-0 7: 204 217 205 219 206 218 305 0.951 25.86 45.1 81 81 87 99 361 10.6 0.213 0.453 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5648 2532.2 2.9 scans 31% 512 m/z 1.4% 0.0431% 1946 1.0 173 70258 1452259 1450408 1-0 17: 512 455 247 513 456 514 483 248 263 457 349 497 423 484 409 235 234 0.924 26.57 -0.9 94 94 79 94 512 62.5 13.033 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9425 2571.2 2.9 scans 90% 371 m/z 0.033% 1.32% 1982 0.6 959 3087857 44689349 43194010 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 103 55 71 116 145 75 101 117 85 1.000 26.39 56.6 90 98 97 100 459 123.0 1.651 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN LQC1-N1008 Sucrose 27.4255 2621.8 3.0 scans 66% 361 m/z 0.17% 0.286% 2028 1.0 434 583602 9656929 8626978 1-20 14: 361 217 362 437 363 271 451 218 438 169 243 439 364 452 0.963 27.59 -17.7 99 98 95 99 437 78.9 3.310 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9179 2674.4 2.9 scans 82% 73 m/z 0.26% 0.372% 2075 1.0 534 383811 1.04% 12546612 11747881 35016482 1-0 20: 73 161 109 57 205 160 145 214 287 147 286 201 83 75 127 517 186 172 312 301 0.984 27.91 1.0 99 98 98 100 662 23.8 0.198 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1072 UNKnp_Ntb 27.98min 2681 27.9926 2682.3 3.1 scans 78% 73 m/z 0.35% 0.274% 2082 1.0 470 290394 1.03% 9241745 9241745 34679785 0-0 20: 73 109 161 160 205 57 145 214 287 286 147 83 186 75 517 312 201 172 301 103 0.993 27.98 1.1 100 99 99 100 662 22.0 0.219 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0452 2688.0 3.1 scans 61% 161 m/z 1.0% 0.0948% 2087 1.1 276 102144 0.938% 3193242 3193242 31582173 0-0 16: 161 109 57 287 205 145 201 517 182 160 83 127 574 301 172 162 0.985 28.03 1.3 96 94 96 98 574 22.7 0.675 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.4051 2727.8 3.0 scans 30% 399 m/z 1.5% 0.0334% 2121 1.1 147 65679 1126767 1076273 1-1 5: 399 400 487 401 488 0.711 28.19 23.9 90 92 70 92 487 21.4 2.131 0.212 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1030 C18:0-2-glycerol 28.6881 2759.6 3.3 scans 87% TIC 0.35% 0.370% 2148 1.1 517 287337 1.25% 12474607 12474607 42087118 0-0 0.997 28.67 2.3 91 90 91 94 457 83.7 2.616 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1034 Nonacosane 29.5204 2853.3 3.4 scans 55% 57 m/z (204) 0.61% 0.0992% 2227 1.1 225 167055 3341984 2927762 3-10 18: 57 71 85 55 99 56 365 83 97 113 70 127 393 366 141 364 86 58 0.984 29.50 1.8 95 96 98 98 408 8.6 0.148 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8466 2889.9 3.3 scans 80% 57 m/z 0.17% 0.286% 2258 1.1 417 579696 9649022 9252377 1-2 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 155 112 58 72 0.995 29.83 2.2 95 92 98 100 408 26.6 0.405 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1038 Hexacosanol 30.1906 2930.2 3.6 scans 3.1% 439 m/z 9.5% 0.00203% 2291 1.2 33 10716 0.00382% 68402 68402 128618 0-0 2: 439 440 0.669 30.17 2.1 89 97 46 96 439 25.5 58.845 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1042 C20:0-2-glycerol 30.4043 2955.6 3.1 scans 70% 189 m/z 0.34% 0.414% 2311 1.3 508 299690 13942560 12605690 1-2 15: 189 129 369 117 204 145 188 485 103 131 370 385 435 190 486 0.912 30.38 2.7 84 76 76 100 485 79.6 2.455 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4358 2959.4 3.5 scans 44% 193 m/z (189) 0.65% 0.149% 2314 1.1 278 156797 5045505 4589835 3-2 15: 193 119 105 163 120 194 176 91 515 247 325 106 164 516 529 0.933 30.36 9.3 83 86 82 86 529 12.9 0.215 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4842 2965.1 3.8 scans 86% TIC 0.14% 0.367% 2319 1.3 474 717706 0.973% 12368166 11743217 32760613 0-1 0.999 30.46 2.5 99 97 99 100 393 108.6 5.259 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2397 3054.8 3.5 scans 90% 57 m/z 0.062% 1.01% 2391 0.6 746 1653098 1.14% 34156113 33511892 38383452 1-1 20: 57 71 85 55 99 69 393 83 56 97 113 70 127 111 141 84 421 155 394 392 0.998 31.21 3.3 98 96 99 100 393 116.7 2.446 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1048 Hentriacontane 31.5554 3092.3 3.4 scans 88% 57 m/z 0.040% 1.55% 2421 0.5 928 2527319 52257888 48909256 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 141 111 84 155 98 169 112 82 0.997 31.53 2.8 100 99 100 100 436 56.3 0.368 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6953 3108.9 7.5 scans 19% 204 m/z 1.4% 0.0149% 2434 1.1 121 72500 0.102% 504729 476653 3434309 0-1 14: 204 597 205 217 73 337 103 598 191 206 361 599 129 338 0.918 31.68 2.3 89 90 81 90 597 16.0 1.756 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8426 3126.4 3.1 scans 88% 502 m/z 0.044% 0.886% 2448 0.6 766 2300079 29840458 29717544 1-0 17: 502 237 503 73 236 238 504 57 277 221 208 223 71 239 74 505 193 0.998 31.79 6.0 100 99 99 100 502 373.4 23.815 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.6 scans 67% 329 m/z (319) 0.59% 0.321% 2459 1.2 402 172174 10815757 10167047 1-1 16: 329 129 368 458 353 330 95 119 328 105 107 121 145 369 91 159 0.991 31.87 11.2 94 94 95 97 458 59.7 2.207 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1320 3160.8 3.3 scans 65% 57 m/z 0.10% 0.489% 2475 0.8 548 935526 0.552% 16478943 16062162 18585671 2-0 20: 57 71 85 56 421 55 83 99 69 97 70 422 420 113 111 127 141 84 58 125 0.989 32.11 2.6 97 95 99 99 421 127.0 5.370 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1004 Campesterol 32.8033 3240.5 3.6 scans 55% 343 m/z 0.24% 0.646% 2539 0.7 588 414075 0.675% 21773579 20501116 22727044 1-1 17: 343 129 382 472 367 95 383 121 107 119 344 145 342 105 159 91 109 0.885 32.21 70.4 83 95 83 97 472 92.9 2.496 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1046 Stigmasterol 33.0095 3265.0 3.5 scans 90% 83 m/z 0.10% 1.59% 2559 0.5 973 983785 53570314 53570314 0-0 20: 83 129 55 255 69 394 484 81 73 75 133 159 119 105 145 107 93 97 95 351 0.995 32.98 3.2 96 94 98 97 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1147 3277.5 3.1 scans 79% 57 m/z 0.078% 0.674% 2569 0.8 659 1315359 22701792 22650642 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 126 0.991 33.10 2.1 88 85 97 93 515 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN WTF2-N1034 b-Sitosterol 33.4945 3322.6 3.8 scans 73% 129 m/z 0.29% 0.659% 2605 0.8 605 350571 22207218 21509178 1-1 19: 129 357 396 486 381 75 95 121 107 358 119 145 57 105 356 397 159 93 91 0.979 32.88 73.3 84 96 98 99 486 84.1 1.935 0.618 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5998 3335.1 >4 scans 53% TIC 0.57% 0.157% 2615 0.7 386 178111 0.945% 5299096 5299096 31817861 0-0 0.968 33.57 3.3 96 95 92 98 505 81.5 4.464 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6040 3335.6 3.5 scans 26% 386 m/z (505) 1.5% 0.138% 2615 1.1 271 67856 0.171% 4656427 4430951 5757518 1-5 6: 386 296 387 371 379 394 0.885 33.58 2.3 88 90 83 95 505 8.7 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6440 3340.4 8.4 scans 56% TIC 0.40% 0.193% 2619 0.9 443 251182 1.03% 6499606 6499606 34679785 0-0 0.990 33.63 2.3 98 97 97 100 505 123.2 7.712 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7134 3348.6 3.7 scans 47% 505 m/z (204) 0.58% 0.270% 2626 1.0 410 175531 1.16% 9114553 9114553 39056846 0-0 17: 505 271 491 361 109 506 169 57 223 492 507 127 289 362 272 201 449 0.956 33.69 2.4 95 97 93 99 505 103.2 6.334 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4668 3438.1 4.4 scans 80% 271 m/z 0.19% 1.02% 2697 0.8 703 532730 2.99% 34640610 33467035 100672386 1-0 20: 271 505 331 73 109 361 241 506 169 223 103 127 475 272 201 217 332 199 289 243 0.998 34.59 -14.5 100 98 98 100 596 0.0 0.000 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5373 3446.5 4.4 scans 73% 271 m/z 0.16% 0.956% 2704 0.8 778 634196 2.54% 32201731 32201731 85521024 0-0 20: 271 331 505 73 109 361 241 223 169 506 475 103 127 217 272 201 289 332 199 243 0.997 34.52 2.3 100 99 99 100 505 177.0 5.171 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5951 3453.3 4.0 scans 12% 596 m/z (271) 0.41% 0.0864% 2709 0.9 201 249543 2911221 2760573 9-2 14: 596 597 598 316 599 318 356 303 300 600 370 468 454 358 0.793 34.47 14.6 95 97 76 99 596 123.0 37.262 0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN EXBLK5S-N1006 Contamination 6.3668 1048.0 2.1 scans 76% 207 m/z 0.62% 0.0268% 27 1.1 170 164958 1038131 1036636 0-1 14: 207 295 208 209 296 191 297 279 193 189 177 210 192 247 0.990 6.63 -15.3 97 96 86 97 295 54.3 10.243 -0.258 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BRA4_R~4-N1014 Lactic acid 6.8413 1076.1 >10 scans 28% 117 m/z (131) 6.6% 0.0120% 72 0.2 60 15708 0.0467% 464886 464886 1802358 0-0 6: 117 147 73 190 148 191 0.903 6.82 1.2 89 93 84 96 295 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1192 Contamination 7.9746 1143.3 2.5 scans 95% 73 m/z 0.079% 0.450% 179 1.0 619 1303547 17397430 16206033 4-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 100 75 149 103 131 134 236 0.999 7.99 -0.9 97 96 97 97 235 126.7 4.200 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1026 Cadaverine NC 8.1250 1152.2 2.3 scans 95% 174 m/z 0.19% 0.100% 194 1.0 295 537735 0.284% 3872482 3577112 10960809 8-0 20: 174 73 175 216 86 142 59 176 100 160 130 217 74 131 143 231 158 87 144 218 0.998 7.74 23.0 95 93 91 99 216 70.0 5.625 0.389 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1188 Contamination 8.3039 1162.8 2.3 scans 62% 281 m/z 2.2% 0.0123% 211 1.1 110 45643 477630 451560 3-1 15: 281 147 369 282 283 370 371 265 207 148 249 149 191 284 372 0.940 8.41 -6.6 97 96 78 98 369 32.0 8.520 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1186 Phosphate 8.4996 1174.4 2.3 scans 93% 241 m/z 0.14% 0.118% 229 1.2 333 713135 4586335 4201461 1-1 20: 241 242 133 73 211 243 163 256 135 195 98 59 89 119 137 147 164 181 212 134 1.000 8.56 -3.6 100 99 99 100 299 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1180 Benzoic acid 9.6738 1243.5 2.6 scans 47% 179 m/z 5.2% 0.00452% 341 1.2 60 19600 0.00484% 174515 164039 186797 1-2 6: 179 105 135 180 194 51 0.955 9.76 -5.0 96 96 89 96 194 8.9 2.227 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN VEN77_S6-N1002 Glycerol 10.0379 1264.8 5.5 scans 85% 299 m/z 0.012% 3.28% 376 0.4 1191 7999421 126604401 126604401 0-0 20: 299 300 314 301 283 207 315 211 193 191 316 135 225 115 284 208 189 137 181 298 0.935 10.09 -3.2 100 99 97 99 299 689.3 33.661 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LACTIC~1-N1034 Glycerol 10.0474 1265.3 2.5 scans 9.3% 147 m/z (73) 0.15% 0.234% 376 0.6 395 666888 9037901 7991960 4-1 20: 147 205 117 103 218 206 204 129 219 101 203 217 175 293 220 143 130 294 144 157 0.845 10.11 -3.7 84 89 57 89 293 32.0 0.656 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6661 1301.6 2.7 scans 61% 199 m/z 1.0% 0.0510% 435 1.1 199 96768 1971546 1884009 2-1 18: 199 75 145 132 200 129 67 81 201 76 79 118 61 155 96 72 95 54 0.731 10.73 -4.0 94 91 90 98 209 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1168 Glyceric acid 10.9460 1318.4 2.5 scans 65% 147 m/z 4.8% 0.00635% 462 1.1 83 21223 0.0198% 245233 241759 764169 2-0 15: 147 73 292 189 57 205 133 215 103 56 190 293 148 102 307 0.968 11.05 -6.5 84 82 69 90 292 23.5 8.025 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0070 1322.1 2.5 scans 66% 184 m/z 5.4% 0.00778% 468 0.9 82 19003 300431 285045 1-2 10: 184 134 285 174 86 227 100 185 172 286 0.975 11.06 -3.4 89 89 73 91 285 23.3 7.976 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3795 1344.5 2.9 scans 20% 57 m/z (84) 0.36% 0.0878% 503 1.1 243 284570 0.0990% 3390961 2939369 3820845 4-0 19: 57 97 115 145 127 69 129 111 59 109 128 72 71 98 87 201 114 113 96 0.951 11.45 -4.0 95 98 96 98 145 72.9 9.042 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4184 1346.9 3.5 scans 96% TIC 0.018% 1.59% 507 0.4 974 5541763 61568701 57698596 2-3 0.993 10.96 27.9 96 97 96 98 161 257.1 6.976 0.462 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1146 Malic acid 13.4523 1472.5 2.4 scans 93% 73 m/z 0.21% 0.124% 700 1.1 342 475792 4816618 4677047 1-1 20: 73 147 233 245 133 189 190 148 75 175 74 191 335 101 149 55 234 217 265 59 0.992 13.62 -10.3 99 98 96 98 350 6.8 0.039 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2625 1524.8 2.5 scans 62% 263 m/z (57 111) 0.79% 0.0229% 777 1.0 142 129882 883799 878167 0-1 13: 263 264 278 265 342 279 175 240 191 207 128 335 135 0.956 14.33 -4.2 83 84 77 93 278 33.3 5.505 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5592 1544.4 2.7 scans 42% 73 m/z 3.5% 0.00961% 805 0.9 85 29619 0.0107% 371248 314722 412960 1-1 14: 73 292 147 220 205 293 217 148 103 221 294 74 143 130 0.890 14.62 -4.2 81 80 72 86 409 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6623 1551.3 2.8 scans 93% TIC 0.16% 0.120% 815 1.2 314 619190 0.222% 4648032 4529388 8567956 4-0 0.995 14.16 33.0 91 91 90 97 250 59.2 3.552 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1044 Dodecanol 14.7149 1554.8 2.7 scans 91% TIC 0.39% 0.0597% 820 1.1 227 260156 0.216% 2304887 2229215 8336390 0-1 0.998 14.24 31.4 97 98 97 99 243 124.3 30.067 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1775 1654.2 2.9 scans 86% 290 m/z (156) 0.31% 0.0790% 959 1.8 229 326117 3049704 2954016 1-1 11: 290 291 292 392 144 393 115 293 172 394 160 0.963 16.28 -6.9 96 97 94 100 392 31.3 1.863 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 2.7 scans 92% 55 m/z 0.25% 0.169% 993 1.1 361 403943 0.182% 6545253 5617285 7024180 9-4 20: 55 73 69 83 56 97 70 57 84 111 82 127 98 113 68 71 140 67 96 112 1.000 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1010 Glycerol-P 17.4738 1746.5 2.9 scans 97% 357 m/z 0.033% 2.07% 1082 0.5 1232 3120332 80051537 77828713 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 256 129 218 328 1.000 16.97 37.0 96 99 98 99 445 195.8 2.525 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5443 1751.6 2.6 scans 44% 217 m/z 2.3% 0.0110% 1089 1.1 98 44757 0.131% 427592 399466 5055866 0-1 8: 217 218 219 450 191 305 232 148 0.936 17.63 -6.4 81 80 70 82 450 15.4 2.441 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.3 scans 94% TIC 0.029% 3.14% 1173 0.5 1246 3499313 121265526 114948875 1-3 0.994 17.91 38.3 96 99 98 99 327 118.9 0.911 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1012 Phytol 18.5555 1826.6 3.4 scans 97% 68 m/z 0.071% 1.38% 1185 0.6 960 1450063 1.56% 53263205 52296539 60207259 1-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.5 94 98 99 99 278 56.6 0.347 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1016 Hexadecene 18.6175 1831.3 2.8 scans 92% TIC 0.22% 0.228% 1191 1.1 421 463791 4.62% 8800121 7941965 178306112 0-2 0.993 18.10 38.9 83 83 92 97 280 62.9 2.228 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6407 1833.1 2.5 scans 32% 285 m/z 1.9% 0.0225% 1193 1.1 136 54427 0.375% 870539 831769 14472899 11-0 13: 285 117 132 145 286 118 300 201 287 257 61 241 146 0.985 18.73 -6.6 94 94 81 94 300 13.8 1.016 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1076 Pregnane?? 18.7606 1842.2 2.7 scans 77% 345 m/z 1.1% 0.0384% 1205 1.1 180 89669 1482956 1440932 1-0 18: 345 73 346 255 147 347 334 256 419 435 74 148 372 239 257 243 215 333 0.996 18.86 -7.5 89 88 80 88 537 8.9 0.245 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1002 Phytol 18.8min 18.8469 1848.8 2.7 scans 93% 81 m/z 0.38% 0.231% 1213 1.0 419 266307 8936373 7917588 2-11 20: 81 82 68 95 57 123 55 69 67 79 83 71 96 97 124 109 53 278 56 110 0.997 18.84 0.5 96 95 99 96 278 48.2 1.323 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1072 Fructose 18.9342 1855.5 2.7 scans 80% 73 m/z 0.58% 0.0636% 1221 1.0 228 178846 2455857 2260560 8-3 20: 73 103 307 217 147 308 218 277 133 309 104 74 205 189 117 364 89 172 219 148 0.989 19.03 -7.5 93 93 94 93 364 21.9 0.921 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1070 Fructose 19.0531 1864.5 2.8 scans 70% 73 m/z 0.82% 0.0480% 1232 1.3 188 126152 0.154% 1856208 1716399 5943537 2-5 20: 73 103 307 217 147 308 218 277 309 364 205 104 262 133 89 74 189 219 148 117 0.981 19.19 -10.8 88 87 88 88 554 7.8 0.171 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0931 1867.6 2.8 scans 95% 81 m/z 0.18% 0.486% 1236 0.8 615 571734 18764150 18330958 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.2 93 95 98 99 278 84.2 1.878 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BRA4_R~2-N1004 Galactose 19.2562 1880.0 2.8 scans 81% 73 m/z 0.59% 0.0694% 1252 1.0 235 174771 0.114% 2680854 2680854 4399761 0-0 20: 73 319 205 160 147 320 217 103 206 321 229 117 207 74 189 148 133 161 291 129 0.981 19.36 -8.1 96 94 93 97 364 14.4 0.378 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9096 1931.5 2.9 scans 89% TIC 0.21% 0.160% 1314 1.1 315 475931 0.196% 6185788 4648985 7564502 0-3 0.988 19.91 -0.2 96 93 94 99 361 15.0 0.227 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2705 1960.5 2.6 scans 44% 204 m/z 2.0% 0.0110% 1348 0.9 95 49776 425731 370546 3-3 8: 204 191 205 192 206 218 189 193 0.985 20.41 -11.5 87 87 85 87 217 22.9 5.744 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7872 2002.1 3.1 scans 95% TIC 0.15% 0.683% 1397 0.9 712 667721 0.770% 26381898 26042281 29717685 1-1 0.999 20.27 41.9 82 82 94 98 322 49.4 0.482 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1038 C16:0 21.1586 2033.3 3.9 scans 98% TIC 0.025% 3.13% 1432 0.3 1320 4107343 121107787 120202320 1-0 1.000 20.62 45.0 94 99 99 100 328 154.0 1.362 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6542 2075.0 2.9 scans 74% 305 m/z 0.85% 0.0810% 1480 1.1 244 121446 3128089 3000217 3-1 19: 305 217 147 318 191 306 265 319 204 218 307 432 320 192 433 367 291 219 148 0.996 21.75 -7.9 96 96 93 96 507 16.3 0.446 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9551 2100.3 3.4 scans 73% TIC 1.3% 0.0588% 1508 0.9 196 78701 0.128% 2272182 2177210 4940083 0-1 0.964 22.33 -32.7 94 97 94 98 342 23.6 1.452 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN FAME-N1014 C18:0-methyl ester 22.0814 2111.3 3.1 scans 18% 87 m/z 5.3% 0.00518% 1520 0.9 63 19370 200117 199316 0-2 4: 87 74 298 255 0.809 22.28 -17.0 81 83 69 82 298 14.6 5.462 -0.195 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1729 2119.3 3.1 scans 23% 396 m/z 3.8% 0.00790% 1529 1.2 74 26839 0.00894% 304990 272333 345034 1-0 10: 396 219 397 381 398 220 307 382 249 293 0.834 22.19 -1.2 90 91 56 91 396 39.9 29.106 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3918 2138.4 3.1 scans 17% 204 m/z 4.3% 0.00374% 1550 1.1 53 24136 0.0400% 144434 133596 1543776 4-3 4: 204 249 205 206 0.669 22.71 -28.1 85 90 57 89 518 0.0 0.000 -0.322 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1040 Phytol 22.6138 2157.8 3.0 scans 92% 143 m/z 0.059% 0.386% 1571 1.0 526 1757969 14901435 14124042 4-1 20: 143 73 75 144 123 81 57 55 145 124 95 69 71 103 97 83 82 67 74 68 0.998 22.08 46.3 80 82 90 97 181 8.9 0.029 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1925 2208.7 7.2 scans 93% 75 m/z 0.035% 7.28% 1626 0.2 1565 2919669 8.39% 281295900 281284936 323806987 0-1 20: 75 79 73 95 67 93 108 81 80 91 55 107 129 94 121 117 77 135 149 105 0.993 23.12 6.9 97 97 99 97 350 109.7 0.492 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1036 C18:0 23.4092 2228.5 2.8 scans 92% 341 m/z 0.078% 0.788% 1646 0.7 774 1319379 30422633 29654238 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 116 297 0.999 22.89 46.7 93 99 98 99 356 100.5 1.686 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7112 2256.1 2.9 scans 43% 163 m/z 0.37% 0.0617% 1675 1.2 218 278674 0.0654% 2382017 2219922 2524074 2-12 9: 163 331 164 165 161 332 88 178 90 0.845 23.72 -0.8 96 96 83 97 331 50.4 5.332 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1426 2295.6 3.3 scans 43% 204 m/z (117) 0.69% 0.0488% 1716 0.8 175 149815 0.0575% 1886266 1731778 2219178 1-8 16: 204 217 337 205 147 103 206 218 338 219 191 361 339 203 229 362 0.894 24.18 -3.5 90 93 90 93 581 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1018 myo-Inositol 25.2106 2396.9 4.0 scans 61% TIC 0.89% 0.0759% 1818 1.4 224 116363 0.260% 2931277 2911387 10034543 0-1 0.929 25.21 0.1 98 97 93 99 470 15.6 0.484 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6241 2437.7 3.5 scans 47% 91 m/z 0.65% 0.0365% 1857 1.1 151 158658 1412395 1260222 3-3 14: 91 117 194 207 92 65 115 208 193 312 51 104 118 178 0.982 25.61 1.4 96 95 95 96 312 18.7 1.525 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2996 2504.8 3.1 scans 44% 204 m/z (161) 0.42% 0.103% 1921 1.1 227 243272 0.322% 3981329 2728206 12427396 22-1 10: 204 217 205 147 219 206 218 305 148 101 0.948 25.86 44.1 81 84 90 99 361 10.4 0.209 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5585 2531.6 2.9 scans 51% 512 m/z 0.47% 0.118% 1946 0.9 294 219100 4569452 4428943 1-1 16: 512 455 247 513 456 483 514 248 263 349 457 497 484 423 179 235 0.963 26.57 -1.5 98 97 91 98 512 100.4 11.667 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9299 2569.9 2.8 scans 87% 371 m/z 0.046% 0.780% 1981 0.7 804 2238275 30139625 28851690 1-1 20: 371 372 73 147 57 129 205 203 239 373 459 55 71 103 116 75 145 117 85 101 1.000 26.39 55.3 90 98 97 100 459 100.2 1.556 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN LQC1-N1008 Sucrose 27.4202 2621.3 3.0 scans 59% 361 m/z 0.20% 0.224% 2028 1.0 395 496592 8653518 7529856 0-20 13: 361 217 362 437 363 271 451 438 169 218 439 452 364 0.963 27.59 -18.2 99 98 94 98 437 73.1 3.426 -0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9189 2674.5 2.9 scans 90% 73 m/z 0.12% 0.786% 2075 0.9 807 842371 2.31% 30359576 30278212 89153056 1-0 20: 73 161 109 205 57 145 160 287 214 147 286 83 127 75 201 186 517 312 172 301 0.997 27.91 1.1 98 96 98 100 662 36.4 0.203 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0431 2687.7 2.9 scans 71% 161 m/z 0.39% 0.173% 2087 1.1 410 264508 1.96% 6703733 6703733 75645017 0-0 18: 161 73 109 57 287 205 145 201 160 517 127 182 574 162 245 83 301 172 0.993 28.03 1.0 93 89 94 99 574 36.0 0.768 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.4019 2727.4 3.1 scans 51% 399 m/z 0.62% 0.0747% 2121 1.0 233 166964 2886225 2874871 0-2 6: 399 203 487 401 116 488 0.942 28.19 23.5 96 96 92 97 487 31.1 1.779 0.209 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.6892 2759.7 3.2 scans 92% TIC 0.13% 0.917% 2148 0.8 827 774983 1.37% 35408457 34565530 52874323 1-0 0.999 28.67 2.4 92 90 91 94 457 135.8 2.696 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1034 Nonacosane 29.5088 2851.9 >4 scans 48% TIC 0.88% 0.0204% 2226 1.2 185 117570 0.237% 788779 788779 9146872 0-0 0.973 29.50 0.4 95 96 96 96 408 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8339 2888.5 3.1 scans 54% 57 m/z 0.54% 0.0764% 2257 1.0 230 189463 2949976 2602114 3-7 14: 57 71 85 99 56 70 113 127 84 141 86 126 58 140 0.975 29.83 0.8 93 93 98 97 408 14.7 0.411 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1042 C20:0-2-glycerol 30.4011 2955.2 3.0 scans 81% 189 m/z (204 193) 0.13% 0.884% 2311 0.8 785 792678 1.08% 34132115 31198840 41681948 1-1 20: 189 369 129 117 145 73 485 188 103 57 370 75 385 131 55 71 69 83 486 190 0.987 30.38 2.3 90 90 80 100 485 131.4 2.799 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4737 2963.9 4.4 scans 76% TIC 0.21% 0.230% 2318 1.8 383 480873 1.05% 8884403 8536739 40524116 0-1 0.994 30.46 1.3 98 97 99 100 393 84.5 4.878 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2281 3053.5 3.4 scans 89% 57 m/z 0.064% 0.831% 2389 0.6 734 1618994 32079126 31731291 1-0 20: 57 71 85 55 99 393 69 56 83 97 113 70 127 111 141 84 421 394 155 392 0.998 31.21 2.0 98 96 99 99 393 116.6 2.524 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1048 Hentriacontane 31.5290 3089.2 3.1 scans 84% 57 m/z 0.068% 0.663% 2418 0.7 695 1516547 25600590 25580587 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 82 0.994 31.53 -0.3 98 97 99 98 436 41.6 0.359 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6848 3107.7 7.0 scans 17% 204 m/z 1.2% 0.0124% 2433 1.0 118 80042 0.0857% 480812 426611 3307540 0-2 14: 204 597 205 217 337 73 103 206 598 191 599 129 338 361 0.889 31.68 1.1 89 91 80 90 597 17.0 2.080 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8215 3123.9 2.9 scans 77% 502 m/z 0.092% 0.359% 2446 0.9 523 1126576 13880074 13416924 1-1 15: 502 237 503 73 236 504 238 277 221 223 239 208 74 505 193 0.990 31.79 3.5 100 99 98 100 502 258.7 24.450 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9541 3139.7 3.5 scans 73% 329 m/z 0.37% 0.415% 2458 0.8 510 276569 16036481 14850869 1-3 18: 329 129 368 458 353 75 95 330 107 119 121 105 145 81 328 369 91 93 0.994 31.87 10.3 97 95 95 98 458 76.9 2.270 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1225 3159.7 3.9 scans 73% TIC 0.082% 0.563% 2474 1.0 641 1257278 1.16% 21749972 21748675 44769500 1-0 0.992 32.11 1.5 96 93 98 99 421 146.2 5.201 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1004 Campesterol 32.7906 3239.0 3.5 scans 51% 343 m/z 0.27% 0.481% 2538 0.7 552 382697 0.524% 18592564 17938919 20223464 0-1 16: 343 129 382 472 367 145 107 344 119 121 383 105 342 159 91 93 0.972 32.21 68.9 82 94 82 96 472 89.2 2.611 0.581 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1046 Stigmasterol 32.9979 3263.6 3.5 scans 87% 83 m/z 0.11% 1.26% 2558 0.5 916 885210 48986861 48986861 0-0 19: 83 129 255 55 394 484 69 81 133 75 159 119 145 105 107 93 351 95 91 0.991 32.98 1.8 96 94 98 97 665 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1063 3276.5 3.2 scans 78% TIC 0.072% 0.542% 2568 0.6 690 1438506 1.64% 20936362 20918309 63294810 0-1 0.985 33.10 1.1 85 80 96 94 515 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN WTF2-N1034 b-Sitosterol 33.4830 3321.3 3.4 scans 74% 129 m/z 0.25% 0.560% 2604 0.7 627 406878 21622648 20469756 1-1 19: 129 357 396 486 381 95 358 107 397 75 81 121 119 57 145 356 105 55 159 0.995 32.88 72.0 85 97 98 99 486 90.1 2.063 0.606 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5903 3334.0 >4 scans 75% TIC 0.26% 0.578% 2614 1.0 622 388829 2.57% 22315953 21804751 99187599 1-0 0.996 33.57 2.2 97 94 96 100 505 136.5 4.823 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5966 3334.8 3.6 scans 19% 386 m/z (505) 0.98% 0.158% 2615 1.1 301 104915 0.188% 6123380 5762893 7255747 1-5 10: 386 296 281 387 371 211 120 253 379 388 0.805 33.58 1.5 86 90 74 93 505 11.3 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6429 3340.2 4.8 scans 49% 505 m/z 0.22% 0.326% 2619 0.8 602 456856 1.59% 12592458 12592458 61365091 0-0 20: 505 271 73 361 491 169 109 506 103 223 492 362 272 289 507 201 127 243 217 147 0.993 33.63 2.1 99 97 97 100 505 164.4 7.467 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.7102 3348.2 3.9 scans 67% 505 m/z 0.19% 0.628% 2625 0.8 685 527079 2.43% 24253118 24253118 93784384 0-0 20: 505 271 361 491 73 169 109 506 223 103 492 362 127 289 272 507 201 83 243 493 0.994 33.69 2.0 97 96 95 99 505 170.1 6.173 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8923 3369.9 3.5 scans 5.4% 441 m/z 1.9% 0.00926% 2643 1.0 76 51983 357508 357508 0-1 6: 441 442 308 646 443 647 0.753 33.80 11.5 89 89 59 93 646 16.0 4.407 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.4773 3439.3 >6 scans 86% 271 m/z 0.11% 2.07% 2698 0.8 933 932990 5.80% 79985392 74227574 223847500 2-0 20: 271 331 505 73 109 361 241 223 169 506 127 475 103 217 201 272 332 199 289 243 0.998 34.52 -4.9 100 99 99 100 505 211.1 5.118 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.5489 3447.8 5.1 scans 71% 271 m/z (596) 0.093% 1.92% 2705 0.7 1013 1105858 6.02% 74383125 74383125 232338267 0-0 20: 271 331 505 73 109 361 223 241 169 506 475 103 127 217 272 332 201 289 199 243 1.000 34.59 -4.8 97 98 98 99 596 6.4 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5878 3452.5 3.9 scans 13% 596 m/z (271) 0.35% 0.107% 2709 0.8 243 288924 4155534 3919812 1-1 8: 596 597 598 316 599 356 524 440 0.935 34.47 13.8 94 95 87 99 596 131.0 29.111 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN EXBLK5S-N1006 Contamination 6.3616 1047.7 1.9 scans 79% 207 m/z 0.52% 0.0379% 26 1.2 189 205883 1251487 1183309 1-2 17: 207 73 295 208 209 296 191 297 279 74 193 189 133 247 192 210 177 0.990 6.63 -15.6 98 97 89 98 295 58.3 9.567 -0.263 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1192 Contamination 7.9483 1141.7 2.2 scans 97% 147 m/z 0.083% 0.445% 177 1.0 594 1289693 14702711 14675378 2-0 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 100 75 149 131 134 221 0.996 7.99 -2.5 99 98 97 98 235 121.5 4.181 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1026 Cadaverine NC 8.1198 1151.9 2.3 scans 84% 174 m/z 0.73% 0.0286% 193 1.1 146 145525 945108 899084 1-2 20: 174 73 175 216 142 86 59 100 160 176 130 217 143 131 74 218 87 231 158 161 0.988 7.74 22.7 96 95 92 99 216 35.5 5.894 0.384 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1188 Contamination 8.2987 1162.5 2.2 scans 56% 281 m/z 3.3% 0.00772% 210 1.2 80 32296 0.00780% 254946 246152 257301 1-2 12: 281 147 369 282 283 370 148 207 371 265 249 191 0.771 8.41 -6.9 96 96 90 96 369 26.0 10.619 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1186 Phosphate 8.4776 1173.1 2.2 scans 92% 241 m/z 0.21% 0.0938% 227 1.3 268 501169 3094587 2882373 1-1 20: 241 242 133 211 243 163 256 73 195 135 98 59 89 119 181 137 147 212 257 121 0.999 8.56 -4.9 100 99 99 100 299 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1180 Benzoic acid 9.6581 1242.5 2.6 scans 37% 179 m/z 5.4% 0.00565% 339 1.1 58 19769 0.00609% 186363 164126 200893 1-3 8: 179 105 135 77 180 51 194 136 1.000 9.76 -6.0 95 96 88 96 194 8.3 1.998 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN VEN77_S6-N1002 Glycerol 10.0201 1263.7 5.1 scans 89% 299 m/z 0.014% 3.21% 374 0.3 1080 7359741 105935620 103433963 1-1 20: 299 300 314 283 207 315 211 193 316 135 225 284 208 137 181 195 209 298 121 269 0.946 10.09 -4.3 100 99 98 99 299 638.2 35.105 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LACTIC~1-N1034 Glycerol 10.0274 1264.2 4.8 scans 31% 73 m/z (299) 0.046% 1.05% 375 0.4 635 2297571 34660270 34032538 1-1 20: 73 133 74 149 75 131 59 177 72 105 104 221 116 89 163 58 87 150 57 178 0.924 10.11 -4.8 88 89 88 95 293 30.9 0.238 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6556 1300.9 2.7 scans 91% 199 m/z 1.0% 0.0932% 434 1.2 240 99824 3076002 2923038 2-1 19: 199 75 117 69 55 145 85 57 83 71 111 84 132 200 70 129 131 67 56 0.989 10.73 -4.7 83 75 63 99 209 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9923 1321.2 2.5 scans 62% 184 m/z 3.7% 0.0110% 466 1.0 87 28670 0.0118% 364080 352393 389250 4-0 16: 184 134 285 174 100 86 77 286 185 227 59 135 172 186 110 175 0.908 11.06 -4.3 96 97 89 97 285 26.6 9.274 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3701 1344.0 2.9 scans 24% 57 m/z (84) 0.36% 0.103% 502 1.0 238 292636 0.108% 3418021 3044088 3562630 4-2 18: 57 97 115 145 127 69 129 111 59 109 128 72 71 87 98 201 114 113 0.948 11.45 -4.5 95 98 96 98 145 70.8 8.873 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3921 1345.3 3.1 scans 92% 84 m/z 0.034% 0.887% 504 0.7 698 3076665 29273009 27508177 2-5 20: 84 133 162 161 119 92 118 85 82 65 51 130 134 78 117 63 91 163 120 77 0.992 10.96 26.3 96 96 96 98 161 182.6 6.841 0.436 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1146 Malic acid 13.4492 1472.3 2.5 scans 95% 73 m/z 0.20% 0.168% 700 1.0 346 523240 5567483 5556760 1-0 20: 73 147 233 245 133 189 190 148 75 74 191 175 335 101 149 55 234 59 265 217 1.000 13.62 -10.5 99 98 97 98 350 6.8 0.039 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2604 1524.6 2.7 scans 58% 263 m/z (71) 0.74% 0.0273% 777 1.0 134 143762 900804 878029 1-0 10: 263 264 278 265 175 247 207 135 105 149 0.987 14.33 -4.4 85 83 82 96 278 35.3 6.947 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6592 1551.1 2.9 scans 88% TIC 0.50% 0.0465% 815 1.1 178 213928 0.188% 1534375 1496310 6201615 2-0 0.995 14.16 32.8 92 94 91 98 250 33.9 3.621 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1044 Dodecanol 14.7129 1554.6 2.7 scans 92% TIC 0.39% 0.0776% 820 0.9 223 270614 0.171% 2560270 2479623 5640831 0-1 0.999 14.24 31.2 97 99 98 99 243 122.4 30.029 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1765 1654.1 3.3 scans 80% TIC 0.33% 0.0910% 959 0.8 211 316499 0.171% 3003245 3003245 5640831 0-0 0.964 16.28 -7.0 98 97 96 99 392 29.4 1.948 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 2.7 scans 92% 55 m/z 0.27% 0.200% 993 1.1 340 386030 0.220% 6604435 5348325 7257209 10-4 20: 55 69 83 73 97 56 70 57 84 111 113 82 127 98 68 71 67 140 96 54 1.000 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1010 Glycerol-P 17.4665 1745.9 2.7 scans 96% 357 m/z 0.045% 1.71% 1082 0.6 1025 2384454 56409629 53125760 1-1 20: 357 299 73 358 315 445 147 300 370 211 359 387 101 301 103 133 256 129 328 218 1.000 16.97 36.4 96 99 98 99 445 167.5 2.674 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5412 1751.4 2.5 scans 45% 217 m/z 2.2% 0.0136% 1089 0.9 97 47609 0.103% 450044 450044 3397693 0-0 9: 217 218 450 305 219 191 232 257 451 0.973 17.63 -6.6 81 81 69 83 450 14.1 2.128 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4187 1816.1 4.2 scans 94% TIC 0.028% 3.60% 1172 0.5 1228 3743916 118873198 111244153 1-2 0.980 17.91 37.9 96 99 98 99 327 118.7 0.936 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1012 Phytol 18.5481 1826.0 3.1 scans 96% 68 m/z 0.10% 1.10% 1184 0.6 782 1033203 1.24% 36393623 35078341 40904268 1-1 20: 68 95 82 57 123 69 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 37.9 95 98 99 99 278 47.3 0.367 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1016 Hexadecene 18.6134 1831.0 3.1 scans 88% TIC 0.40% 0.178% 1191 1.5 311 267218 4.59% 5892224 5144322 151411767 0-3 0.995 18.10 38.6 84 84 92 97 280 46.4 2.227 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6397 1833.0 2.7 scans 51% 285 m/z 1.8% 0.0287% 1193 1.0 138 57707 947819 878825 2-1 15: 285 117 132 129 286 145 118 116 287 241 201 61 300 257 130 0.997 18.73 -6.7 93 93 81 94 300 13.8 0.999 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8427 1848.5 2.7 scans 92% 81 m/z 0.58% 0.180% 1212 1.1 339 184439 5957099 5623766 1-2 20: 81 82 95 68 57 123 69 55 83 67 79 96 71 124 97 109 278 53 56 110 0.992 18.58 20.1 97 95 98 99 278 40.2 1.408 0.264 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9332 1855.4 2.8 scans 66% 73 m/z 1.5% 0.0270% 1221 0.9 133 69930 0.0348% 891227 834724 1147958 3-1 20: 73 103 307 217 147 308 277 218 309 104 133 205 189 89 74 364 172 117 148 173 0.985 18.40 40.4 91 96 94 97 364 13.1 0.963 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1018 Fructose 19.0521 1864.5 2.7 scans 42% 307 m/z 2.4% 0.0177% 1232 0.9 104 43507 585871 518457 1-4 10: 307 103 308 277 309 364 89 104 262 219 0.967 18.52 40.2 84 90 86 91 364 11.9 1.313 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BRA4_R~2-N1004 Galactose 19.2531 1879.8 2.8 scans 63% 319 m/z (71) 1.6% 0.0318% 1251 1.0 136 64410 0.0535% 1050244 1014077 1764821 3-0 16: 319 73 205 160 320 147 321 206 103 229 148 161 207 189 218 89 0.982 19.36 -8.3 93 94 90 95 364 9.0 0.437 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1068 Galactopyranose 19.3310 1885.7 2.9 scans 51% 204 m/z 1.7% 0.0265% 1259 1.2 127 59801 0.0572% 875623 810298 1886874 2-8 10: 204 191 205 192 206 193 243 189 148 305 0.828 19.32 1.2 82 80 81 86 435 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9076 1931.3 2.9 scans 88% TIC 0.26% 0.174% 1314 1.0 282 404206 0.186% 5766759 4108433 6135640 3-5 1.000 19.91 -0.4 96 94 95 99 361 12.4 0.194 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7819 2001.7 2.8 scans 94% TIC 0.23% 0.527% 1397 0.9 564 456078 0.564% 17401638 16488706 18604845 1-3 1.000 20.27 41.5 82 82 94 98 322 38.1 0.457 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1038 C16:0 21.1534 2032.9 3.6 scans 97% 313 m/z 0.025% 3.46% 1432 0.4 1292 4170482 114412347 114405852 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 201 74 315 116 269 1.000 20.62 44.6 94 99 99 100 328 150.2 1.352 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6521 2074.8 2.9 scans 28% 305 m/z 4.4% 0.0138% 1479 0.9 90 24314 456801 405163 3-2 18: 305 217 318 191 306 265 319 307 218 87 432 219 320 291 367 192 433 221 0.976 21.75 -8.1 85 86 71 86 507 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9530 2100.1 3.2 scans 72% TIC 1.1% 0.0634% 1508 0.8 201 96481 0.123% 2093902 1952470 4057440 0-1 0.970 22.33 -32.9 94 97 94 98 342 24.7 1.511 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1719 2119.2 3.0 scans 25% 396 m/z 4.6% 0.00963% 1529 1.1 75 23266 0.0110% 317901 286313 362860 1-0 9: 396 219 397 381 398 220 307 382 249 0.893 22.19 -1.3 90 91 74 92 396 35.9 22.951 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3866 2138.0 2.8 scans 19% 204 m/z 4.5% 0.00466% 1549 0.9 54 23665 153712 133440 2-4 4: 204 249 205 206 0.806 22.71 -28.5 84 89 73 87 518 0.0 0.000 -0.327 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1040 Phytol 22.6107 2157.5 3.2 scans 89% TIC 0.088% 0.365% 1570 1.1 420 1221539 0.424% 12048155 9990570 13986621 8-2 0.993 22.08 46.0 81 83 90 96 181 7.3 0.030 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1736 2207.0 5.9 scans 92% 75 m/z 0.041% 6.51% 1624 0.3 1430 2617910 7.49% 214804116 207072068 247074975 0-6 20: 75 79 73 95 67 93 108 81 129 80 55 91 117 107 94 121 149 135 77 145 0.990 23.12 5.2 98 98 99 97 350 103.1 0.520 0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1036 C18:0 23.4040 2228.1 2.7 scans 92% 341 m/z 0.085% 0.787% 1646 0.8 722 1259081 25978292 24895953 2-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 0.999 22.89 46.3 93 99 99 99 356 94.9 1.728 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7102 2256.1 2.7 scans 38% 163 m/z 0.45% 0.0571% 1675 1.0 192 237704 1884821 1694199 3-10 8: 163 331 164 165 332 88 178 90 0.862 23.72 -0.8 95 94 83 96 331 44.8 5.423 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1395 2295.3 3.3 scans 38% 204 m/z (333 132) 0.70% 0.0537% 1716 0.9 162 151992 0.0682% 1772964 1597850 2249735 1-8 16: 204 205 217 337 147 103 206 219 338 218 339 191 101 203 220 291 0.940 24.01 11.8 89 93 88 94 490 0.0 0.000 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1395 2295.3 3.3 scans 32% 204 m/z 0.71% 0.0413% 1716 0.9 150 151300 0.0525% 1364134 1229400 1731834 1-8 16: 204 205 217 337 147 103 206 219 338 218 339 191 101 203 220 291 0.626 24.18 -3.8 90 91 70 92 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1018 myo-Inositol 25.2085 2396.7 4.0 scans 55% TIC 1.3% 0.0548% 1817 1.4 181 81575 0.213% 1808893 1808893 7026298 0-0 0.935 25.21 -0.1 97 97 91 98 470 13.0 0.511 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6242 2437.7 3.2 scans 48% 91 m/z 0.68% 0.0396% 1857 1.3 145 156418 0.0485% 1308010 1170835 1599885 6-3 15: 91 117 194 207 92 208 115 65 312 193 104 51 118 178 63 0.975 25.61 1.4 97 98 95 97 312 18.8 1.671 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2997 2504.8 3.0 scans 44% 204 m/z 0.51% 0.0941% 1921 1.1 213 208627 0.287% 3105196 2046930 9467359 22-1 5: 204 205 219 206 218 0.909 25.86 44.1 80 81 88 99 361 14.0 0.430 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5554 2531.2 2.9 scans 52% 512 m/z 0.47% 0.141% 1945 1.0 291 226526 4670559 4582052 1-0 17: 512 455 247 513 456 483 514 248 207 263 349 457 484 497 423 179 235 0.968 26.57 -1.9 97 97 90 98 512 99.7 11.715 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9320 2570.1 2.8 scans 86% 371 m/z 0.037% 1.27% 1981 0.7 891 2901471 42058825 39101214 11-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 75 145 101 85 117 1.000 26.39 55.5 90 97 97 100 459 113.0 1.616 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1014 Sucrose 27.4139 2620.6 3.0 scans 35% 361 m/z (397) 0.53% 0.118% 2027 1.1 242 199755 3922450 3105734 1-20 11: 361 362 437 363 271 451 438 439 364 452 272 0.953 27.49 -8.1 95 96 92 98 437 44.1 3.332 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1010 Sucrose 27.4139 2620.6 3.0 scans 33% 361 m/z 0.53% 0.103% 2027 1.1 236 199757 3415552 2704381 1-20 11: 361 362 437 363 271 451 438 439 364 452 272 0.923 27.58 -17.6 97 97 88 98 437 44.1 3.482 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN LQC1-N1008 Sucrose 27.4161 2620.8 5.7 scans 33% TIC 0.56% 0.0576% 2027 1.6 235 190613 0.370% 1903052 1706627 12205306 5-0 0.823 27.59 -18.7 96 96 86 97 437 41.6 3.126 -0.175 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1070 UNKnp_Ntb 27.98min 2681 27.9074 2673.3 2.9 scans 77% 73 m/z 0.34% 0.294% 2074 0.9 453 310085 0.715% 9721759 8973857 23585929 1-0 20: 73 161 109 160 57 205 145 214 287 286 147 201 517 186 75 83 127 172 301 312 0.981 27.91 -0.1 99 99 98 99 662 20.4 0.203 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1074 UNKnp_Ntb 28.03min 2687 28.0326 2686.6 2.9 scans 56% 161 m/z 1.1% 0.0812% 2086 1.2 246 92477 0.732% 2680272 2661702 24146713 0-1 16: 161 57 109 287 145 205 517 201 127 160 301 574 182 162 245 229 0.978 28.03 -0.1 95 93 95 98 574 20.2 0.676 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.3935 2726.5 2.7 scans 23% 399 m/z 1.4% 0.0312% 2120 1.0 141 76716 1029440 932003 1-1 4: 399 400 487 401 0.703 28.19 22.6 92 94 73 94 487 22.3 2.484 0.201 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.6766 2758.3 2.9 scans 73% 341 m/z 0.47% 0.260% 2147 0.9 422 228382 0.515% 8602310 7750290 16988466 1-0 19: 341 189 117 145 129 457 188 103 342 357 57 75 55 131 458 71 190 267 69 0.995 28.67 1.0 91 89 90 93 457 72.5 2.957 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1034 Nonacosane 29.5078 2851.8 3.0 scans 54% 57 m/z 0.57% 0.0733% 2226 1.0 222 186094 2419164 2309456 2-1 17: 57 71 85 55 99 365 56 83 70 113 127 366 141 393 84 364 58 0.984 29.50 0.3 96 97 97 97 408 5.9 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8372 2888.9 3.1 scans 80% TIC 0.16% 0.363% 2257 0.9 430 665650 0.381% 11987031 9184360 12568166 7-7 0.993 29.83 1.2 95 92 99 99 408 27.8 0.418 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1038 Hexacosanol 30.1781 2928.8 3.3 scans 1.8% 439 m/z 11% 0.00159% 2290 1.1 29 9373 0.00335% 52636 52636 110507 0-0 2: 439 440 0.402 30.17 0.7 84 96 32 97 439 22.8 60.096 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1042 C20:0-2-glycerol 30.3927 2954.2 2.9 scans 60% 189 m/z 0.46% 0.292% 2310 1.2 416 232807 0.321% 9642821 8653051 10588927 1-3 15: 189 369 129 204 145 117 485 188 131 370 435 385 486 190 295 0.856 30.38 1.3 82 74 79 99 485 68.6 2.722 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4243 2958.0 3.1 scans 47% 193 m/z (189) 0.69% 0.137% 2313 1.0 270 155244 4527006 4132367 2-3 13: 193 119 105 163 120 91 194 176 515 247 106 164 516 0.967 30.36 7.9 83 85 83 87 529 12.4 0.211 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4727 2963.7 3.0 scans 71% 57 m/z 0.15% 0.322% 2318 0.9 432 675540 0.394% 10629522 9697168 12997001 0-3 20: 57 71 85 56 393 55 69 99 83 97 392 70 394 113 127 111 141 84 58 365 0.997 30.46 1.1 98 97 99 99 393 103.7 5.764 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2239 3053.0 3.2 scans 88% TIC 0.065% 0.868% 2389 0.7 713 1641437 0.888% 28665241 27437314 29292734 8-1 0.998 31.21 1.5 98 96 99 100 393 111.4 2.442 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1048 Hentriacontane 31.5396 3090.5 3.5 scans 87% 57 m/z 0.045% 1.43% 2419 0.5 849 2352440 47205395 44958890 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 125 0.998 31.53 1.0 99 99 100 99 436 51.9 0.373 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6817 3107.3 4.0 scans 17% 204 m/z 1.3% 0.0157% 2433 1.1 123 82084 0.105% 520673 468183 3463668 0-1 14: 204 205 73 597 103 217 337 598 361 191 206 129 147 338 0.891 31.68 0.7 86 87 81 88 597 15.4 1.555 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8279 3124.7 3.1 scans 84% 502 m/z 0.057% 0.749% 2446 0.7 653 1877563 24721348 24721348 0-0 16: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 505 193 0.994 31.79 4.3 100 99 98 100 502 322.3 24.387 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9489 3139.1 3.3 scans 61% 329 m/z 0.71% 0.231% 2458 1.0 361 150087 7649824 7141613 1-1 16: 329 129 368 458 353 330 107 328 145 119 105 121 369 91 93 159 0.981 31.87 9.7 94 93 94 98 458 54.1 2.242 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1173 3159.1 3.0 scans 63% 57 m/z 0.11% 0.458% 2474 0.9 531 904479 0.519% 15129999 14105577 17120415 3-1 20: 57 71 85 56 421 55 69 83 99 97 70 420 113 422 127 111 141 84 155 58 0.982 32.11 0.9 89 83 94 99 421 122.8 5.359 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1004 Campesterol 32.7907 3239.0 3.5 scans 52% 343 m/z 0.31% 0.513% 2538 0.7 513 345021 0.534% 16948333 16704640 17615225 1-0 17: 343 129 382 472 367 95 121 107 344 119 383 145 105 342 159 473 93 0.874 32.21 68.9 83 95 83 97 472 80.3 2.446 0.581 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1046 Stigmasterol 32.9948 3263.3 3.5 scans 85% 83 m/z 0.13% 1.30% 2557 0.5 824 769576 43019080 41736540 1-1 20: 83 129 55 255 394 484 69 81 73 75 159 133 105 119 145 107 355 351 93 95 0.996 32.98 1.5 95 93 97 97 665 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1032 3276.1 3.2 scans 73% 57 m/z 0.10% 0.577% 2568 0.7 577 1073329 19062037 18898183 0-4 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 155 98 112 58 126 0.988 33.10 0.7 82 77 95 94 515 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN WTF2-N1034 b-Sitosterol 33.4799 3320.9 3.6 scans 62% 129 m/z 0.38% 0.503% 2603 0.8 514 277472 0.673% 16624904 14836655 22200462 2-4 19: 129 357 396 486 381 75 358 81 95 107 119 121 105 397 145 356 57 159 93 0.975 32.88 71.6 83 95 97 99 486 72.5 1.995 0.603 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5914 3334.1 3.3 scans 23% 386 m/z (505) 1.9% 0.104% 2614 1.1 232 55873 0.199% 3454815 3347784 6564475 3-0 7: 386 296 387 371 379 394 388 0.904 33.58 0.8 88 90 83 94 505 7.7 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.6261 3338.3 8.6 scans 50% TIC 0.52% 0.145% 2617 1.3 379 204403 0.859% 4790751 4790751 28336102 0-0 0.985 33.63 0.2 98 97 96 99 505 105.5 7.746 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.6272 3338.4 4.5 scans 52% 505 m/z (508) 0.52% 0.296% 2617 1.2 387 204034 1.17% 9774713 9774713 38595156 0-0 19: 505 271 491 361 506 169 109 492 103 223 507 289 272 362 201 493 127 243 273 0.956 33.57 6.6 84 85 74 89 505 106.3 7.557 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1064 UNKnp_Disaccharide/Steroid bound compound 33.69min 33.6977 3346.8 3.4 scans 45% 505 m/z (204) 0.72% 0.236% 2624 1.0 357 148377 1.04% 7802540 7802540 34306806 0-0 15: 505 271 491 109 506 169 223 492 507 289 272 201 127 493 449 0.979 33.69 0.6 95 96 95 99 505 87.8 6.034 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8860 3369.1 3.2 scans 13% 441 m/z 1.0% 0.0271% 2642 1.1 121 98333 895168 879630 0-1 6: 441 442 646 308 647 443 0.898 33.80 10.7 91 91 80 96 646 21.1 3.019 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4468 3435.7 4.1 scans 76% 271 m/z 0.25% 0.747% 2695 1.0 596 423413 2.31% 24670188 23177160 76200693 1-0 20: 271 505 73 331 109 361 506 241 169 475 223 127 103 201 272 217 243 332 199 289 0.995 34.59 -16.9 100 98 98 100 596 0.0 0.000 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN BMN_RE~1-N1068 UNKnp_Disaccharide/Steroid bound compound 34.51min 34.5173 3444.1 4.1 scans 72% 271 m/z 0.20% 0.830% 2702 0.9 675 520004 2.10% 27388323 27388323 69273357 0-0 20: 271 505 331 73 109 361 241 223 506 169 475 103 127 272 201 217 289 332 199 243 0.997 34.52 -0.1 100 99 99 100 505 153.3 5.160 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\BRA4_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5847 3452.1 3.8 scans 9.7% 596 m/z (271) 0.51% 0.0685% 2708 0.8 175 210285 0.0687% 2260979 2217753 2266228 0-1 10: 596 597 598 316 599 302 356 342 600 370 0.764 34.47 13.4 94 98 76 99 596 107.9 37.947 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN EXBLK5S-N1006 Contamination 6.6067 1062.2 2.2 scans 81% 207 m/z 1.1% 0.269% 49 1.1 168 89708 0.644% 617490 597117 1473869 1-1 17: 207 73 295 208 209 191 296 74 297 133 59 279 193 210 189 177 247 0.982 6.63 -1.1 96 96 91 96 295 49.0 8.559 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.7704 1131.2 2.7 scans 52% 147 m/z 6.0% 0.0692% 160 1.6 68 16528 0.874% 158463 111991 2000251 2-5 6: 147 73 148 74 149 58 0.968 7.79 -1.4 91 92 89 92 219 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN LQC1-N1192 Contamination 7.9345 1140.9 2.4 scans 95% 73 m/z 0.32% 1.54% 176 1.0 383 304101 3544492 3325545 1-1 20: 73 147 133 220 235 59 148 146 72 86 74 89 100 103 75 160 149 131 134 70 0.999 7.99 -3.3 98 97 97 97 235 73.2 3.664 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN LQC1-N1188 Contamination 8.3154 1163.5 2.6 scans 52% 281 m/z 9.3% 0.0462% 212 1.6 59 10741 105865 84175 0-10 6: 281 147 369 282 283 148 0.765 8.41 -5.9 90 92 82 92 369 19.2 10.629 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN LQC1-N1180 Benzoic acid 9.6465 1241.9 2.5 scans 95% TIC 0.91% 0.453% 338 1.0 201 109275 0.664% 1037387 1023340 1519641 4-0 1.000 9.76 -6.6 99 98 96 98 194 31.8 2.515 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN VEN77_S6-N1002 Glycerol 9.9895 1261.9 2.1 scans 9.2% 299 m/z 14% 0.0112% 371 1.4 34 7133 25727 25727 0-0 3: 299 300 314 1.000 10.09 -6.1 82 87 58 87 299 27.4 63.780 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN LACTIC~1-N1034 Glycerol 10.0200 1263.7 3.0 scans 96% 73 m/z 0.83% 0.793% 374 0.7 245 120435 1816271 1771611 1-1 20: 73 147 205 117 103 218 133 206 148 74 59 204 129 149 101 131 75 219 175 191 1.000 10.11 -5.3 98 97 97 99 293 14.4 0.346 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6471 1300.4 2.7 scans 87% 199 m/z 1.2% 0.610% 433 1.2 222 77514 1397985 1382020 1-1 20: 199 75 73 117 145 132 129 131 200 74 67 79 81 61 118 76 116 72 155 133 0.911 10.73 -5.2 99 98 96 99 209 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN WTF2-N1022 Succinic acid 10.6692 1301.8 3.0 scans 31% 147 m/z (69 199) 3.2% 0.0829% 436 0.6 73 30568 189945 188964 2-0 5: 147 247 148 149 248 0.812 10.27 23.3 80 84 57 93 247 21.2 8.507 0.396 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3657 1343.7 2.9 scans 96% 57 m/z 0.43% 1.02% 502 0.8 283 230052 2345852 2274973 4-0 20: 57 97 115 145 55 127 69 56 129 59 111 58 109 128 72 71 83 87 98 113 0.999 11.45 -4.8 99 98 98 100 145 79.3 7.825 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2551 1524.3 2.5 scans 52% 263 m/z 1.6% 0.145% 776 1.0 114 59820 333431 333431 0-1 8: 263 264 278 265 279 175 91 147 0.890 14.33 -4.7 95 95 84 95 278 31.0 7.370 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN WTF2-N1044 Dodecanol 14.7107 1554.5 2.5 scans 80% 243 m/z 3.2% 0.128% 820 1.0 105 30339 0.149% 293770 260295 341004 6-9 16: 243 75 244 73 103 83 69 89 97 61 101 111 59 245 56 115 0.964 14.24 31.1 93 97 85 96 243 56.6 29.305 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN A-AMYRIN-N1010 Contamination?? 16.1764 1654.1 2.7 scans 83% 290 m/z 2.0% 0.159% 959 1.6 109 49723 365051 332060 1-3 10: 290 73 291 158 392 117 144 59 131 74 0.979 16.28 -7.0 97 96 87 96 392 16.4 2.270 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4028 1814.9 3.8 scans 96% 73 m/z 0.035% 40.6% 1171 0.5 1555 2833925 92962603 89732222 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 133 58 66 77 213 90 117 0.983 17.91 36.7 96 99 99 100 327 141.5 0.828 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN C14-N1006 C14:0 1TMS STD 18.6322 1832.4 2.7 scans 86% TIC 7.0% 0.103% 1192 1.2 96 14110 36.8% 236494 236494 84221081 0-0 0.989 18.73 -7.3 87 88 77 88 300 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN WTF2-N1038 C16:0 21.1154 2029.7 3.0 scans 97% 117 m/z 0.52% 2.09% 1428 1.2 394 189886 4802795 4563849 1-7 20: 117 313 73 75 132 129 145 314 55 131 118 74 133 57 328 69 116 315 201 130 1.000 20.62 41.4 94 98 97 98 328 39.9 1.028 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN WTF2-N1036 C18:0 23.3892 2226.7 2.9 scans 96% 341 m/z 0.69% 1.75% 1644 1.5 348 143615 4008600 3767944 1-8 20: 341 117 73 75 132 129 145 342 55 356 133 57 131 118 74 69 201 130 83 116 1.000 22.89 44.9 92 97 96 97 356 41.4 1.414 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6083 2436.2 3.5 scans 90% 91 m/z 0.48% 0.907% 1855 1.6 232 207137 2077648 1865103 2-6 20: 91 117 194 207 92 115 65 77 193 103 208 104 312 118 78 129 116 128 195 51 0.989 25.61 -0.1 98 97 97 97 312 26.3 1.281 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5489 2530.6 2.8 scans 78% 73 m/z 1.6% 0.411% 1945 1.5 178 61436 940800 883413 1-3 18: 73 512 455 247 57 219 74 263 248 349 514 205 457 177 175 189 484 179 0.978 26.57 -2.5 93 93 82 93 512 60.8 11.726 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN WTF2-N1028 C16:0-glycerol 26.9172 2568.6 2.7 scans 97% 371 m/z 0.096% 7.00% 1980 0.8 767 1032981 16026492 15544131 1-1 20: 371 73 147 372 57 129 205 55 103 203 71 239 116 75 101 145 117 85 373 133 1.000 26.39 54.0 92 99 99 100 459 86.9 1.281 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN WTF2-N1030 C18:0-1-glycerol 28.7175 2762.9 2.9 scans 97% 399 m/z 0.19% 3.59% 2151 1.0 543 505966 8228813 8200652 0-2 20: 399 73 400 147 57 129 205 55 103 203 71 116 145 401 117 75 101 487 133 69 1.000 28.19 59.0 91 99 99 100 487 63.4 1.361 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4105 2956.4 2.8 scans 90% TIC 1.6% 0.644% 2312 1.1 233 60162 0.646% 1474291 1412863 1478446 5-2 0.994 30.36 6.3 86 85 90 85 529 0.0 0.000 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN EXBLK5S-N1006 Contamination 6.3731 1048.4 2.1 scans 72% 207 m/z 1.0% 0.0700% 27 1.3 180 99558 689795 675905 0-1 17: 207 73 295 208 209 296 191 71 297 74 279 193 189 210 85 177 247 0.952 6.63 -14.9 97 96 88 96 295 51.3 8.135 -0.252 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN BRA4_R~4-N1014 Lactic acid 6.8771 1078.2 >8 scans 29% 117 m/z (131) 10% 0.0389% 75 0.4 66 9763 0.0905% 383724 347605 890870 0-6 8: 117 147 66 148 191 190 149 219 0.983 6.82 3.3 88 91 85 94 295 0.0 0.000 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8409 1135.4 >4 scans 54% TIC 7.4% 0.00742% 167 0.9 57 13397 0.335% 73057 72339 3297696 0-1 0.957 7.79 2.8 82 80 79 90 219 0.0 0.000 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN LQC1-N1192 Contamination 8.0008 1144.9 2.4 scans 97% 73 m/z 0.26% 0.454% 182 1.0 415 377077 4475778 4373644 5-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 100 160 103 75 149 131 134 70 0.999 7.99 0.7 98 97 97 97 235 82.7 3.966 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN LQC1-N1188 Contamination 8.3123 1163.3 2.3 scans 76% 281 m/z 4.2% 0.0244% 211 1.0 97 23397 241020 232000 1-1 13: 281 147 369 282 283 370 148 207 371 265 249 149 191 0.987 8.41 -6.1 94 94 73 95 369 28.7 8.701 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN LQC1-N1186 Phosphate 8.5280 1176.1 2.1 scans 52% 241 m/z 9.1% 0.00470% 232 1.2 45 10883 46356 46356 1-0 3: 241 242 133 1.000 8.56 -1.9 91 92 73 92 299 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN LQC1-N1180 Benzoic acid 9.6864 1244.2 3.0 scans 62% 179 m/z (217) 7.7% 0.0142% 342 1.0 63 12896 0.0145% 140682 126191 142736 0-4 6: 179 105 135 77 180 51 1.000 9.76 -4.3 88 90 83 93 194 5.7 0.807 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN VEN77_S6-N1002 Glycerol 10.0242 1264.0 3.4 scans 80% TIC 0.091% 1.17% 374 1.4 554 1098165 11571605 11197081 1-1 0.857 10.09 -4.0 100 99 96 99 299 326.0 34.658 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN LACTIC~1-N1034 Glycerol 10.0431 1265.1 3.4 scans 67% 205 m/z (299) 0.34% 0.576% 376 0.6 372 290341 5672722 5256571 1-1 20: 205 147 117 103 218 206 148 204 129 149 219 101 203 175 217 118 293 116 104 220 0.992 10.11 -3.9 95 96 94 99 293 24.0 0.415 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6744 1302.1 2.8 scans 94% TIC 1.0% 0.176% 436 1.0 241 91328 1734102 1705432 3-0 0.998 10.73 -3.5 96 94 92 99 209 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0017 1321.8 2.4 scans 64% 184 m/z 10% 0.00935% 467 0.9 61 9129 92075 92075 0-0 7: 184 134 285 174 77 86 59 0.987 11.06 -3.7 82 83 73 83 285 21.3 12.347 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3836 1344.8 3.4 scans 95% 57 m/z 0.48% 0.278% 503 0.7 267 206780 2737836 2678438 1-1 20: 57 115 97 145 127 55 69 129 56 59 111 128 109 58 71 72 83 87 98 146 1.000 11.45 -3.7 98 97 97 99 145 76.8 8.293 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2687 1525.2 2.6 scans 67% 263 m/z 2.0% 0.0326% 778 1.0 106 49291 321080 321080 1-0 12: 263 264 278 239 342 265 175 133 279 91 447 240 0.991 14.33 -3.8 86 84 76 90 278 26.1 6.093 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1044 Dodecanol 14.7201 1555.1 2.6 scans 86% TIC 1.9% 0.0478% 821 0.8 127 50965 0.0533% 471307 458911 524678 2-1 0.982 14.24 31.7 94 96 90 97 243 70.2 30.713 0.478 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1736 1585.2 2.7 scans 82% 342 m/z 3.8% 0.0293% 864 1.0 98 26303 289187 257463 11-2 11: 342 73 239 343 344 240 74 327 254 133 241 0.990 14.37 53.0 80 88 79 88 342 50.5 26.743 0.800 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN A-AMYRIN-N1010 Contamination?? 16.1848 1654.7 2.9 scans 77% 290 m/z 1.3% 0.0536% 960 1.6 122 73382 528439 489212 1-3 8: 290 291 292 158 392 144 131 115 0.963 16.28 -6.4 98 98 89 98 392 18.9 2.379 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5352 1679.0 2.8 scans 79% TIC 3.1% 0.0367% 993 1.2 120 31338 0.108% 361491 361491 1063138 0-0 0.993 16.63 -6.4 89 89 90 89 210 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4133 1815.7 4.0 scans 96% 73 m/z 0.031% 10.7% 1172 0.5 1541 3183368 106135978 104090928 1-1 20: 73 135 76 119 120 132 149 136 74 118 133 58 134 77 90 121 75 117 137 108 0.994 17.91 37.5 96 99 99 100 327 144.7 0.883 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN C14-N1006 C14:0 1TMS STD 18.6396 1833.0 2.7 scans 73% 285 m/z 3.9% 0.0432% 1193 1.0 123 25592 2.36% 426033 400090 23231527 1-3 14: 285 117 132 129 145 286 131 74 118 116 133 130 201 119 1.000 18.73 -6.7 93 93 83 93 300 9.0 0.528 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0804 1866.6 3.0 scans 62% 82 m/z 12% 0.0274% 1235 0.9 89 8196 270380 240271 5-2 17: 82 81 68 95 123 97 96 83 79 67 109 124 53 111 56 77 94 0.926 18.58 38.2 82 89 83 90 278 11.5 1.652 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9096 1931.5 2.5 scans 74% 204 m/z 2.0% 0.0483% 1314 1.0 129 48804 476319 419629 4-4 17: 204 73 205 217 159 147 206 129 218 103 74 189 191 148 149 219 59 0.997 19.91 -0.2 89 88 89 88 361 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1038 C16:0 21.1217 2030.2 2.6 scans 96% 313 m/z 0.12% 1.69% 1429 0.9 776 809134 16699053 15985965 2-1 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 133 69 74 315 201 116 130 1.000 20.62 41.9 95 100 99 100 328 83.7 1.163 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2707 2127.8 2.4 scans 20% 327 m/z 17% 0.00574% 1538 1.2 47 5779 56519 56519 0-0 2: 327 328 0.826 22.33 -5.2 81 85 58 85 342 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1042 C18:2 23.0262 2193.8 >4 scans 53% TIC 5.2% 0.0325% 1610 1.5 146 19000 0.448% 320659 320659 4410053 0-0 0.989 22.53 43.0 83 90 85 90 352 8.6 0.349 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1036 C18:0 23.3923 2227.0 2.7 scans 94% 341 m/z 0.24% 0.942% 1645 0.9 563 400969 9275227 8981848 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 69 131 343 74 201 116 146 0.999 22.89 45.2 94 99 99 99 356 70.4 1.564 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6167 2437.0 3.2 scans 69% 91 m/z 0.80% 0.108% 1856 1.3 171 124072 1070787 995852 3-6 19: 91 117 194 207 92 115 65 208 193 312 77 118 104 78 51 195 128 116 178 0.952 25.61 0.7 95 94 94 95 312 20.7 1.463 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2943 2504.3 5.2 scans 21% 204 m/z 5.0% 0.0363% 1920 1.3 76 19980 358291 108379 26-0 7: 204 73 205 217 219 147 218 0.882 25.86 43.6 84 93 80 92 361 5.6 0.000 0.438 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5552 2531.2 2.8 scans 43% 512 m/z 1.6% 0.112% 1945 1.0 190 60844 1109933 1109933 0-0 15: 512 455 247 513 456 514 483 349 263 457 248 497 249 484 409 0.967 26.57 -1.9 94 94 80 94 512 68.0 12.855 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1028 C16:0-glycerol 26.9298 2569.9 2.7 scans 94% 371 m/z 0.046% 3.05% 1981 0.9 1022 2137239 30078240 29363129 1-1 20: 371 73 372 147 129 57 205 203 239 55 103 71 373 459 116 75 145 101 85 117 1.000 26.39 55.3 90 98 98 100 459 124.1 1.479 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN WTF2-N1030 C18:0-1-glycerol 28.7280 2764.1 2.6 scans 95% 399 m/z 0.073% 1.90% 2152 0.8 828 1364898 18720578 18429144 0-1 20: 399 73 400 147 129 57 205 203 55 103 401 71 487 116 145 75 117 101 267 69 1.000 28.19 60.2 90 98 98 100 487 103.0 1.546 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4158 2957.0 2.9 scans 72% 193 m/z 0.71% 0.397% 2312 1.0 356 139247 3911136 3712029 1-1 15: 193 119 105 163 120 91 194 103 176 206 247 171 121 515 145 0.983 30.36 6.9 94 93 95 93 529 13.2 0.137 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8859 3369.1 3.2 scans 20% 441 m/z 1.2% 0.0885% 2642 0.9 158 78746 871767 844897 1-1 6: 441 442 308 646 443 647 0.954 33.80 10.7 94 94 87 94 646 24.6 2.423 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN EXBLK5S-N1006 Contamination 6.3710 1048.2 1.8 scans 73% 207 m/z 0.74% 0.0609% 27 1.1 185 133764 723648 711885 1-0 14: 207 295 208 209 296 191 297 279 210 193 189 177 192 247 0.961 6.63 -15.1 97 96 89 97 295 59.5 10.326 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN BRA4_R~4-N1014 Lactic acid 6.9044 1079.9 >14 scans 11% 147 m/z (131) 18% 0.0140% 78 0.2 33 5518 0.0260% 166850 140429 308533 0-5 3: 147 191 117 0.788 6.82 5.0 84 92 62 90 295 0.0 0.000 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LQC1-N1192 Contamination 8.0134 1145.6 2.4 scans 89% 73 m/z 1.0% 0.0960% 183 1.1 200 95946 1140361 1054639 8-1 19: 73 147 133 220 235 148 59 146 72 86 74 100 89 160 149 131 103 134 236 0.997 7.99 1.4 96 96 95 96 235 40.4 4.070 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LQC1-N1188 Contamination 8.3133 1163.4 2.2 scans 60% 281 m/z 4.3% 0.0157% 212 1.0 86 22760 187227 182181 0-1 13: 281 147 369 282 283 370 148 371 207 265 249 149 191 0.855 8.41 -6.0 94 94 85 95 369 26.9 9.868 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LQC1-N1186 Phosphate 8.5406 1176.9 2.2 scans 54% 241 m/z 6.8% 0.00512% 233 1.2 49 14599 60841 60841 0-0 3: 241 242 133 0.991 8.56 -1.1 89 91 73 91 299 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LQC1-N1180 Benzoic acid 9.6970 1244.8 10.1 scans 62% TIC 8.1% 0.0137% 343 1.7 62 12324 0.0646% 163739 163739 766587 0-0 0.965 9.76 -3.7 82 81 73 89 194 7.5 1.437 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN VEN77_S6-N1002 Glycerol 10.0305 1264.3 2.9 scans 90% TIC 0.066% 1.08% 375 1.2 596 1505582 12876833 12294284 1-5 0.972 10.09 -3.7 100 99 98 99 299 366.8 37.909 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LACTIC~1-N1034 Glycerol 10.0526 1265.6 3.6 scans 68% 205 m/z (299) 0.61% 0.279% 377 0.5 271 163893 3320618 3216447 1-1 17: 205 147 117 103 218 206 204 129 148 219 203 101 175 217 104 220 293 0.992 10.11 -3.4 96 96 96 99 293 17.4 0.413 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6850 1302.7 2.7 scans 73% 199 m/z 1.1% 0.128% 437 1.0 221 86941 1527803 1416184 2-1 19: 199 75 73 117 145 132 129 200 131 118 74 76 81 61 201 116 155 72 95 0.797 10.73 -2.9 96 94 92 99 209 5.3 0.000 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3920 1345.3 3.3 scans 95% 57 m/z 0.47% 0.236% 504 0.7 260 210577 2808541 2751578 4-0 20: 57 97 115 145 127 129 69 56 55 59 111 109 72 128 58 71 83 146 87 98 0.998 11.45 -3.2 99 98 97 99 145 75.5 8.403 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2761 1525.7 2.5 scans 55% 263 m/z 1.1% 0.0467% 778 1.0 136 84499 555125 555125 0-1 15: 263 264 278 239 265 342 279 175 91 133 240 343 247 335 131 0.958 14.33 -3.3 89 87 82 94 278 33.9 6.245 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1044 Dodecanol 14.7275 1555.6 2.6 scans 74% 243 m/z 1.8% 0.0410% 821 1.0 128 53248 487530 462194 3-3 17: 243 75 244 103 89 97 83 245 61 101 111 76 91 59 67 77 74 0.944 14.24 32.2 93 96 89 97 243 69.0 29.145 0.486 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN A-AMYRIN-N1010 Contamination?? 16.1901 1655.1 2.9 scans 80% TIC 1.2% 0.0430% 960 1.9 128 81693 0.105% 511237 511237 1246000 0-0 0.970 16.28 -6.0 99 98 92 98 392 19.4 2.289 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5425 1679.6 2.8 scans 83% 55 m/z 1.8% 0.0611% 994 1.3 156 53109 0.101% 725513 725513 1198533 0-0 19: 55 83 56 69 97 70 73 111 84 82 98 68 127 113 96 140 67 54 112 1.000 16.63 -5.8 93 93 94 93 210 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4176 1816.1 3.9 scans 91% 73 m/z 0.029% 8.20% 1172 0.6 1472 3425349 97333854 95081915 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 66 133 213 77 90 121 0.939 17.91 37.9 95 99 93 99 327 144.0 0.959 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN C14-N1006 C14:0 1TMS STD 18.6490 1833.7 2.7 scans 72% 285 m/z 3.5% 0.0400% 1194 1.0 125 28439 475284 451245 1-5 15: 285 117 132 129 145 286 131 61 118 201 74 116 300 287 257 0.995 18.73 -6.0 94 94 85 94 300 12.3 0.970 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LQC1-N1068 Galactopyranose 19.3424 1886.6 2.7 scans 49% 204 m/z 4.5% 0.0191% 1260 1.2 86 21881 0.0310% 226831 220714 367867 4-4 11: 204 191 205 192 189 206 218 74 103 193 133 0.978 19.32 2.1 83 83 82 84 435 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9159 1932.0 2.8 scans 69% 204 m/z 1.5% 0.0578% 1314 1.0 147 64481 687057 649703 4-1 18: 204 73 205 217 159 147 206 129 117 218 103 191 74 148 133 219 59 189 1.000 19.91 0.3 93 93 93 93 361 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1038 C16:0 21.1322 2031.1 2.7 scans 97% 313 m/z 0.10% 1.64% 1430 0.9 801 944523 19569610 19024997 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 57 118 133 69 74 201 315 116 130 1.000 20.62 42.8 95 100 99 100 328 87.2 1.183 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2823 2128.8 2.7 scans 37% 327 m/z 9.7% 0.0162% 1539 0.8 77 10278 192421 192421 1-0 4: 327 132 328 118 0.907 22.33 -4.2 87 88 78 88 342 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1042 C18:2 23.0367 2194.7 >4 scans 61% TIC 2.5% 0.0683% 1611 1.4 197 38697 0.619% 811171 811171 7345467 0-0 0.976 22.53 43.9 87 93 90 95 352 12.4 0.395 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1036 C18:0 23.4018 2227.9 2.8 scans 93% 341 m/z 0.24% 0.822% 1646 1.0 540 400788 9758229 9381305 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 201 74 116 297 0.999 22.89 46.1 94 99 99 99 356 67.0 1.540 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN LQC1-N1028 Glycerolgalactose 24.1468 2296.0 4.0 scans 22% 204 m/z (333) 2.6% 0.0330% 1717 0.8 88 37322 0.0408% 392427 351882 484160 0-2 11: 204 337 205 217 147 103 206 219 218 361 338 0.859 24.01 12.5 84 87 67 86 490 0.0 0.000 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6293 2438.2 3.5 scans 55% 91 m/z 1.1% 0.0672% 1857 1.3 140 89428 798421 715615 3-4 20: 91 117 194 207 92 65 208 193 103 104 118 312 77 178 195 179 116 51 89 165 0.968 25.61 1.9 95 94 94 94 312 16.2 1.342 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3048 2505.4 3.1 scans 22% 204 m/z 5.0% 0.0120% 1921 1.1 72 19949 142650 120267 2-0 5: 204 217 205 219 206 0.884 25.86 44.7 84 93 79 91 361 3.7 0.000 0.449 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5647 2532.2 2.7 scans 50% 512 m/z 1.5% 0.0997% 1946 0.9 192 63949 1183586 1152972 1-1 15: 512 455 247 513 456 514 248 483 263 349 457 484 497 423 249 0.961 26.57 -0.9 95 95 80 95 512 67.9 12.529 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1028 C16:0-glycerol 26.9404 2571.0 2.7 scans 93% 371 m/z 0.041% 2.85% 1982 0.7 1041 2426406 33838178 32461647 2-1 20: 371 73 372 147 57 129 205 203 239 55 373 103 459 71 116 75 145 101 117 85 1.000 26.39 56.4 90 98 98 100 459 128.4 1.526 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN WTF2-N1030 C18:0-1-glycerol 28.7375 2765.2 2.7 scans 94% 399 m/z 0.069% 1.82% 2153 0.8 823 1440259 21694659 20966518 1-1 20: 399 73 400 147 129 57 205 203 55 103 487 71 401 116 145 75 117 101 85 267 1.000 28.19 61.3 89 98 98 100 487 103.2 1.573 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4263 2958.2 2.9 scans 68% 193 m/z 0.76% 0.320% 2313 1.2 339 131274 3798872 3619140 1-1 14: 193 119 105 163 120 194 176 91 206 247 171 515 145 325 0.991 30.36 8.1 94 93 96 93 529 13.3 0.153 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN EXBLK5S-N1006 Contamination 6.3826 1048.9 2.8 scans 92% 69 m/z 0.73% 0.100% 28 1.0 201 136722 0.990% 1181974 1064432 11700511 2-0 10: 69 84 83 125 55 70 111 89 95 148 0.995 6.63 -14.4 97 96 85 97 295 58.0 8.352 -0.242 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LQC1-N1192 Contamination 8.0062 1145.2 2.5 scans 92% TIC 0.73% 0.156% 182 1.1 240 136675 1847228 1724947 5-2 1.000 7.99 1.0 97 96 96 96 235 49.0 4.183 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LQC1-N1188 Contamination 8.3218 1163.9 2.3 scans 58% 281 m/z 4.8% 0.0139% 212 1.0 77 20543 164596 157694 1-1 12: 281 147 369 282 283 370 148 207 265 371 249 149 0.838 8.41 -5.5 95 95 90 95 369 26.2 11.581 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LQC1-N1186 Phosphate 8.5386 1176.7 2.2 scans 56% 241 m/z 6.8% 0.00615% 233 1.2 53 14627 72730 72730 1-0 4: 241 211 242 133 0.944 8.56 -1.3 84 81 66 92 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LQC1-N1180 Benzoic acid 9.6971 1244.8 2.8 scans 61% 179 m/z 7.9% 0.0104% 343 1.0 59 12584 0.0118% 123627 107723 139461 1-3 6: 179 105 135 77 180 51 0.984 9.76 -3.7 86 84 77 91 194 9.4 2.534 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN VEN77_S6-N1002 Glycerol 10.0296 1264.3 2.9 scans 90% TIC 0.058% 1.22% 375 1.2 622 1721289 14494549 14427596 0-1 0.971 10.09 -3.7 100 99 98 99 299 384.5 38.178 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LACTIC~1-N1034 Glycerol 10.0527 1265.6 3.4 scans 71% 205 m/z (299) 0.53% 0.314% 377 0.5 290 186980 3720342 3610625 1-1 18: 205 147 117 218 103 206 204 148 129 219 101 203 175 217 118 293 220 113 0.994 10.11 -3.4 95 96 94 99 293 19.4 0.449 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6861 1302.8 2.7 scans 94% TIC 1.1% 0.142% 437 1.1 228 89456 1681036 1640238 4-0 0.998 10.73 -2.8 94 91 92 99 209 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3943 1345.4 3.3 scans 96% 57 m/z 0.47% 0.230% 504 0.8 256 211543 2726578 2725027 1-0 20: 57 97 115 145 127 129 69 55 56 59 111 109 128 58 72 71 83 87 98 146 1.000 11.45 -3.1 99 98 98 99 145 74.2 8.418 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1044 Dodecanol 14.7329 1556.0 2.6 scans 89% 243 m/z 1.2% 0.0561% 822 1.0 148 79087 663452 659722 1-0 19: 243 75 244 103 73 89 83 97 69 245 101 61 111 59 115 129 70 99 58 1.000 14.24 32.6 93 96 92 97 243 82.4 31.078 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1832 1585.8 2.6 scans 81% 342 m/z 2.7% 0.0316% 865 1.0 106 35822 0.0343% 373717 348142 405381 1-2 10: 342 73 239 343 344 240 74 254 241 345 1.000 14.37 53.6 80 88 79 89 342 55.5 27.127 0.809 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN A-AMYRIN-N1010 Contamination?? 16.1933 1655.3 2.8 scans 80% 290 m/z 1.2% 0.0522% 961 1.8 121 78203 0.0532% 617901 548684 628755 1-2 11: 290 291 292 392 158 144 59 117 100 133 293 0.991 16.28 -5.8 98 98 90 98 392 19.0 2.481 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5469 1679.9 2.7 scans 90% 55 m/z 0.75% 0.193% 994 1.6 246 131686 0.223% 2292572 1882795 2635570 9-2 19: 55 69 83 56 73 70 97 57 84 111 127 82 113 68 98 140 96 67 54 1.000 16.63 -5.5 96 96 97 96 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4250 1816.6 4.1 scans 90% 73 m/z 0.027% 8.94% 1173 0.5 1472 3578737 105716958 102600400 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 66 77 90 121 213 0.937 17.91 38.4 94 99 93 98 327 144.9 0.970 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN C14-N1006 C14:0 1TMS STD 18.6523 1834.0 2.7 scans 69% 285 m/z 3.6% 0.0377% 1194 1.1 117 27118 1.82% 446197 417584 21510030 3-4 14: 285 117 132 129 286 145 131 118 287 116 61 119 300 201 0.997 18.73 -5.7 94 94 84 94 300 10.3 0.774 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LQC1-N1068 Galactopyranose 19.3468 1886.9 2.6 scans 63% 204 m/z 2.9% 0.0306% 1260 1.2 107 33684 361920 361920 0-0 11: 204 191 205 192 206 103 189 74 148 361 193 0.983 19.32 2.4 86 85 85 86 435 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9213 1932.4 2.7 scans 80% 204 m/z 0.91% 0.0902% 1315 1.0 182 109769 1067136 986543 3-1 19: 204 73 159 205 217 147 206 129 103 218 74 189 191 133 160 148 231 131 145 0.999 19.91 0.7 94 93 95 94 361 6.7 0.135 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1038 C16:0 21.1376 2031.6 2.9 scans 97% 313 m/z 0.097% 1.99% 1430 0.8 811 1023026 23624942 23263826 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 133 69 74 315 201 116 130 1.000 20.62 43.3 95 99 99 100 328 90.2 1.238 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2887 2129.4 2.6 scans 25% 327 m/z 10% 0.00872% 1540 0.8 57 9216 103095 103095 0-0 3: 327 328 118 0.636 22.33 -3.6 84 87 48 85 342 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1042 C18:2 23.0421 2195.2 3.6 scans 74% TIC 1.4% 0.184% 1611 1.5 270 70083 0.950% 2185869 2185869 11227763 0-0 0.987 22.53 44.4 90 96 94 97 352 17.6 0.425 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1036 C18:0 23.4051 2228.2 2.7 scans 91% 341 m/z 0.22% 0.816% 1646 0.9 545 437112 9647010 8640586 4-4 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 74 343 201 116 297 1.000 22.89 46.4 93 99 99 99 356 68.8 1.597 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7176 2256.7 2.9 scans 35% 163 m/z (337) 2.0% 0.0421% 1676 1.1 117 48812 0.0761% 498308 494026 899403 0-2 8: 163 331 164 165 88 178 332 333 0.844 23.72 -0.2 89 91 85 93 331 25.9 4.885 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN LQC1-N1028 Glycerolgalactose 24.1511 2296.4 3.9 scans 31% 204 m/z (333) 1.9% 0.0473% 1717 0.7 107 50636 0.0619% 559422 525900 731577 0-3 12: 204 205 337 217 147 103 206 219 338 191 101 148 0.971 24.01 12.9 86 88 81 88 490 0.0 0.000 0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6357 2438.9 3.4 scans 65% 91 m/z 0.85% 0.0872% 1858 1.3 156 116629 1031624 950779 2-4 19: 91 117 194 207 92 65 115 208 193 312 77 104 118 78 195 128 51 179 178 0.991 25.61 2.6 95 95 95 95 312 19.1 1.485 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3091 2505.8 3.5 scans 25% 204 m/z 2.8% 0.0519% 1922 1.0 97 35281 613395 226696 25-0 6: 204 217 205 206 219 218 0.946 25.86 45.1 80 86 84 93 361 4.3 0.000 0.453 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5690 2532.6 2.9 scans 46% 512 m/z (218) 1.3% 0.127% 1947 0.9 206 76800 1509099 1509099 0-0 16: 512 455 247 513 456 483 514 248 263 349 457 497 484 423 409 235 0.968 26.57 -0.5 94 95 87 96 512 66.1 10.264 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1028 C16:0-glycerol 26.9436 2571.3 2.9 scans 92% 371 m/z 0.039% 3.11% 1982 0.7 1025 2506728 36847505 36134297 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 145 75 101 117 85 1.000 26.39 56.7 90 98 97 99 459 130.2 1.617 0.550 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN WTF2-N1030 C18:0-1-glycerol 28.7408 2765.6 2.7 scans 94% 399 m/z 0.059% 1.97% 2153 0.8 851 1691793 23333727 23148059 0-1 20: 399 400 73 147 129 57 205 203 401 55 103 487 71 116 145 75 117 267 101 85 1.000 28.19 61.7 89 98 97 100 487 108.0 1.616 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4327 2959.0 2.8 scans 77% 193 m/z 0.48% 0.473% 2314 0.9 415 206008 5599769 5247636 1-1 18: 193 119 73 105 163 120 205 91 194 103 176 206 117 171 247 121 325 515 0.985 30.36 8.9 97 96 96 96 529 17.6 0.179 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9018 3371.0 3.6 scans 21% 441 m/z 1.1% 0.0901% 2644 1.0 155 87774 1065831 1063424 0-1 7: 441 442 308 646 443 647 329 0.946 33.80 12.6 94 95 88 95 646 24.8 2.564 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 1.9 scans 83% 207 m/z 0.57% 0.0700% 27 1.3 207 173569 1068171 1065608 1-0 16: 207 73 295 208 209 296 191 297 279 71 74 84 189 193 210 177 0.996 6.63 -15.0 98 97 88 97 295 62.8 9.192 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1192 Contamination 7.9399 1141.2 2.3 scans 94% 147 m/z 0.36% 0.208% 176 1.1 323 275825 3186325 3075797 1-1 19: 147 73 133 220 235 148 59 146 72 86 160 74 89 103 100 149 131 134 70 0.997 7.99 -3.0 97 97 97 97 235 65.9 4.159 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1188 Contamination 8.3092 1163.1 2.2 scans 51% 281 m/z 7.0% 0.00739% 211 1.0 61 14244 112724 111447 2-0 9: 281 369 282 283 207 370 148 265 149 0.728 8.41 -6.3 94 94 85 95 369 20.5 11.348 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1186 Phosphate 8.4807 1173.3 2.3 scans 61% 241 m/z 4.2% 0.00929% 228 1.3 65 23573 141710 140213 0-2 10: 241 242 133 163 256 243 211 135 59 195 0.956 8.56 -4.7 90 89 76 94 299 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1180 Benzoic acid 9.6571 1242.5 2.6 scans 62% 179 m/z 6.4% 0.00834% 339 1.0 59 15419 127216 127216 0-1 5: 179 105 135 180 51 1.000 9.76 -6.0 94 94 86 94 194 9.6 2.607 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN VEN77_S6-N1002 Glycerol 9.9885 1261.9 2.7 scans 93% TIC 0.062% 0.736% 371 1.1 560 1609714 0.861% 11233880 10789391 13128195 1-0 1.000 10.09 -6.1 100 99 98 99 299 352.8 39.684 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LACTIC~1-N1034 Glycerol 10.0211 1263.8 2.6 scans 90% 147 m/z (299) 0.49% 0.214% 374 0.6 288 200877 3274321 3274136 1-0 18: 147 205 117 103 218 206 148 204 129 149 219 101 177 203 175 293 217 118 0.999 10.11 -5.2 96 96 96 99 293 20.0 0.481 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6545 1300.9 2.6 scans 93% 199 m/z 1.1% 0.105% 434 1.2 217 89887 1611582 1570458 1-1 20: 199 75 73 117 145 200 132 129 131 55 74 118 67 76 61 81 79 72 146 155 0.998 10.73 -4.7 94 91 92 99 209 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3700 1344.0 2.7 scans 96% 57 m/z 0.40% 0.171% 502 0.9 265 246247 2615006 2570476 1-1 20: 57 115 97 145 127 69 55 129 56 59 111 128 109 58 71 72 83 87 98 116 0.999 11.45 -4.5 99 98 98 99 145 77.1 8.467 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1044 Dodecanol 14.7171 1554.9 2.6 scans 95% 243 m/z 0.41% 0.133% 820 1.1 245 241458 2041009 1974722 1-1 20: 243 75 244 73 103 97 89 83 69 55 245 101 61 111 57 76 59 115 91 85 0.999 14.24 31.5 97 99 98 99 243 136.7 31.230 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1685 1584.8 2.8 scans 81% TIC 2.2% 0.0256% 863 1.6 110 43969 0.0533% 391705 391705 812698 0-0 0.938 14.37 52.6 81 89 80 89 342 58.3 27.961 0.794 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN A-AMYRIN-N1010 Contamination?? 16.1786 1654.3 2.7 scans 90% 290 m/z 0.34% 0.148% 959 2.2 224 287880 2264116 2181676 0-3 17: 290 73 291 292 392 158 144 131 117 74 393 59 293 115 100 159 200 0.986 16.28 -6.8 100 99 97 99 392 33.4 2.225 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5363 1679.1 2.8 scans 96% 55 m/z 0.25% 0.442% 993 1.3 409 391316 6753955 6053609 1-11 20: 55 69 83 73 56 70 97 57 84 111 127 82 113 98 71 68 96 85 67 54 0.999 16.63 -6.3 99 98 99 98 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4145 1815.8 3.9 scans 90% 73 m/z 0.025% 7.38% 1172 0.5 1452 3855040 112572252 109534403 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 58 78 133 77 66 213 90 121 0.935 17.91 37.6 95 99 93 99 327 143.6 0.979 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN C14-N1006 C14:0 1TMS STD 18.6407 1833.1 2.7 scans 67% 285 m/z 3.8% 0.0293% 1193 1.1 108 25994 0.923% 447816 389704 14073547 5-4 12: 285 117 132 286 145 131 118 116 287 130 300 61 0.989 18.73 -6.6 94 94 82 94 300 9.8 0.821 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1068 Galactopyranose 19.3341 1886.0 2.8 scans 74% 204 m/z 2.3% 0.0318% 1259 1.2 116 42461 485980 473525 1-1 12: 204 191 205 192 206 218 103 148 74 133 193 219 0.998 19.32 1.5 86 85 86 87 435 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9076 1931.3 2.7 scans 86% TIC 0.70% 0.0952% 1314 0.7 195 141007 0.113% 1452148 1433497 1722980 3-0 0.995 19.91 -0.4 97 96 97 96 361 9.3 0.228 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1038 C16:0 21.1239 2030.4 2.7 scans 95% 313 m/z 0.098% 1.32% 1429 0.9 754 1015358 20211411 18901998 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 133 69 74 315 201 116 269 1.000 20.62 42.1 95 99 99 100 328 83.1 1.212 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2729 2128.0 2.7 scans 24% 327 m/z 10% 0.00856% 1538 1.2 59 9092 130515 130515 0-0 3: 327 328 118 0.713 22.33 -5.0 86 90 57 89 342 8.6 2.145 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.9674 2188.7 2.8 scans 32% 204 m/z (341) 2.7% 0.0232% 1604 1.1 89 36069 0.0323% 353831 294313 492498 5-1 8: 204 249 205 217 206 218 189 250 0.947 22.71 22.2 87 89 83 92 518 0.0 0.000 0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1042 C18:2 23.0294 2194.1 >3 scans 70% TIC 1.6% 0.0988% 1610 1.3 240 59086 0.793% 1506581 1506581 12091357 0-0 0.998 22.53 43.3 91 96 95 97 352 16.4 0.469 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1010 2200.4 3.3 scans 85% 75 m/z 0.66% 0.430% 1617 0.7 390 150071 0.924% 6557668 6557668 14088795 0-0 20: 75 73 117 79 129 339 95 67 55 108 93 81 80 335 91 145 107 94 77 69 0.995 23.12 -1.4 83 82 93 83 350 22.5 0.333 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1036 C18:0 23.3935 2227.1 2.7 scans 93% TIC 0.22% 0.597% 1645 0.9 516 453351 0.643% 9115822 9026269 9804215 0-1 0.999 22.89 45.3 93 99 98 99 356 67.1 1.692 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7060 2255.7 3.1 scans 51% 163 m/z 0.69% 0.0947% 1675 1.1 183 143939 0.107% 1444411 1354860 1631495 1-3 13: 163 331 164 165 161 88 332 178 89 333 90 162 179 0.959 23.72 -1.2 95 95 91 96 331 40.7 4.916 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1028 Glycerolgalactose 24.1405 2295.4 3.9 scans 29% 204 m/z (333) 1.6% 0.0426% 1716 0.7 110 59072 0.0564% 650760 598701 859965 0-13 12: 204 337 205 217 103 206 219 338 218 191 101 339 0.965 24.01 11.9 86 89 82 89 490 0.0 0.000 0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN LQC1-N1024 Glycerolgalactose 24.1405 2295.4 3.9 scans 28% 204 m/z 1.7% 0.0379% 1716 0.7 108 58336 0.0501% 578401 532131 763905 0-13 12: 204 337 205 217 103 206 219 338 218 191 101 339 0.579 24.18 -3.7 85 87 65 89 581 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6252 2437.8 3.4 scans 30% 91 m/z 0.88% 0.0723% 1857 1.4 147 113442 0.0763% 1102665 961812 1163393 7-3 16: 91 117 194 207 92 65 193 208 115 312 118 51 179 128 78 195 0.986 25.61 1.5 92 92 95 94 312 18.5 1.573 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5585 2531.6 2.8 scans 47% 512 m/z 0.48% 0.264% 1946 0.9 325 206232 4025890 4025890 0-0 16: 512 455 247 513 456 483 514 263 248 349 457 497 423 484 249 175 0.976 26.57 -1.5 99 98 93 99 512 108.6 11.153 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1028 C16:0-glycerol 26.9278 2569.7 2.6 scans 82% 371 m/z 0.062% 1.36% 1981 0.7 773 1595147 20800773 20062035 1-1 18: 371 372 147 57 129 205 239 203 459 373 55 71 116 101 145 75 117 85 0.999 26.39 55.1 91 98 98 100 459 97.8 1.603 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1030 C18:0-1-glycerol 28.7260 2763.9 2.8 scans 88% 399 m/z 0.11% 0.833% 2152 0.9 582 871819 12710989 12361662 1-1 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 75 101 145 117 267 133 0.998 28.19 60.0 89 98 98 100 487 75.6 1.689 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4201 2957.5 2.9 scans 59% 193 m/z 0.99% 0.184% 2313 1.0 267 100497 2808356 2688333 1-1 13: 193 119 105 163 120 176 194 91 171 515 247 325 106 0.966 30.36 7.4 92 93 92 92 529 12.4 0.215 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6837 3107.6 >9 scans 10% TIC 3.0% 0.00297% 2433 1.1 86 32303 0.0670% 45356 45356 1021590 0-0 0.810 31.68 1.0 81 85 73 83 597 13.6 2.497 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN WTF2-N1076 Ntb_Disaccharide 33.1min 33.7198 3349.4 5.2 scans 18% 204 m/z 1.0% 0.0559% 2626 1.2 158 95413 0.0948% 853747 765425 1445474 0-4 11: 204 479 480 73 205 217 481 147 129 191 291 0.919 33.14 68.5 80 93 86 96 479 39.0 6.100 0.577 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8871 3369.2 3.3 scans 40% 441 m/z 0.38% 0.184% 2642 1.0 256 257323 2818540 2734719 0-1 10: 441 57 442 308 646 443 647 237 427 385 0.974 33.80 10.8 97 97 94 97 646 40.3 2.481 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 1.8 scans 83% 207 m/z 0.48% 0.0969% 27 1.1 222 207101 1250564 1206311 1-1 15: 207 73 295 208 209 296 191 297 71 279 133 193 192 177 189 0.994 6.63 -15.0 97 96 88 97 295 68.5 9.554 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1192 Contamination 7.9284 1140.6 2.3 scans 95% 73 m/z 0.34% 0.258% 175 1.1 326 285729 3329384 3214862 1-1 19: 73 147 133 220 235 59 148 146 72 86 89 160 74 100 103 149 134 131 236 0.997 7.99 -3.6 97 97 97 97 235 65.2 4.012 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1188 Contamination 8.3051 1162.9 2.1 scans 44% 281 m/z 6.4% 0.00897% 211 0.9 64 15472 115747 104883 1-1 8: 281 369 282 283 265 370 207 371 0.730 8.41 -6.5 94 95 88 95 369 21.2 10.851 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1186 Phosphate 8.4745 1172.9 2.3 scans 54% 241 m/z 5.7% 0.00736% 227 1.3 55 17350 94998 94998 0-0 6: 241 211 242 133 163 243 0.985 8.56 -5.1 86 84 68 92 299 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1180 Benzoic acid 9.6487 1242.0 2.7 scans 67% 179 m/z 6.7% 0.00965% 339 1.1 58 14877 0.0138% 124544 123445 177997 4-0 6: 179 105 135 77 180 51 0.989 9.76 -6.5 95 96 88 96 194 8.5 2.147 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN VEN77_S6-N1002 Glycerol 9.9791 1261.3 2.7 scans 91% TIC 0.067% 0.802% 370 1.2 531 1491426 1.03% 10353806 10074745 13285286 1-0 1.000 10.09 -6.7 100 99 98 99 299 335.7 39.998 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LACTIC~1-N1034 Glycerol 10.0117 1263.2 2.4 scans 90% 205 m/z (299) 0.34% 0.361% 373 0.7 346 292189 4667596 4418600 2-1 15: 205 147 117 103 218 206 148 204 149 129 219 101 203 175 118 0.999 10.11 -5.8 96 96 95 99 293 22.1 0.407 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6451 1300.3 2.6 scans 94% 199 m/z 1.0% 0.138% 433 1.3 224 96578 1780021 1768042 0-1 20: 199 75 73 117 145 200 129 132 131 55 74 76 81 118 79 67 61 146 201 116 0.998 10.73 -5.3 93 90 90 99 209 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9724 1320.0 2.4 scans 53% 184 m/z 15% 0.00505% 464 1.1 44 6648 65165 65165 0-0 4: 184 285 134 174 0.988 11.06 -5.5 80 82 70 82 285 15.6 12.380 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3617 1343.4 2.7 scans 95% 57 m/z 0.37% 0.222% 501 0.9 272 269284 2874887 2871209 2-0 20: 57 97 145 115 127 69 55 129 59 56 111 128 109 58 72 71 83 116 87 98 1.000 11.45 -5.1 99 98 98 99 145 79.6 8.551 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1044 Dodecanol 14.7087 1554.4 2.7 scans 94% 243 m/z 0.42% 0.170% 819 1.1 241 235842 2198777 2170360 2-0 20: 243 75 244 73 103 97 83 89 69 245 55 101 61 111 57 115 59 76 91 104 1.000 14.24 31.0 97 99 98 99 243 133.5 30.581 0.467 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1601 1584.3 2.5 scans 77% 342 m/z 2.3% 0.0313% 862 1.1 107 41833 404219 404219 0-1 12: 342 239 343 344 240 327 254 74 241 345 179 149 0.962 14.37 52.1 81 89 80 89 342 56.2 27.710 0.786 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN A-AMYRIN-N1010 Contamination?? 16.1713 1653.8 3.0 scans 89% 290 m/z 0.34% 0.195% 958 2.1 226 293289 0.201% 2516667 2516667 2592565 0-0 17: 290 73 291 292 158 392 117 144 131 293 115 74 393 59 100 200 130 0.984 16.28 -7.3 100 99 97 99 392 33.7 2.224 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5301 1678.7 2.8 scans 95% 55 m/z 0.29% 0.510% 993 1.2 377 341398 6588397 5725471 4-15 20: 55 69 83 73 56 70 97 57 84 111 82 127 113 98 68 71 67 96 125 140 1.000 16.63 -6.7 99 98 99 98 210 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4061 1815.2 4.0 scans 92% 73 m/z (310) 0.026% 8.78% 1171 0.5 1430 3753262 113322939 107555824 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 58 78 133 213 90 66 77 121 1.000 17.91 37.0 94 99 99 99 327 139.4 0.951 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN C14-N1006 C14:0 1TMS STD 18.6334 1832.5 2.7 scans 67% 285 m/z 3.7% 0.0354% 1193 1.1 106 26843 1.08% 457676 423294 13930202 4-6 16: 285 117 132 129 286 145 118 131 74 201 61 130 287 300 257 241 0.979 18.73 -7.2 94 94 80 94 300 10.0 0.894 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1068 Galactopyranose 19.3268 1885.4 2.8 scans 66% 204 m/z 2.7% 0.0329% 1258 1.3 103 35854 424553 397680 2-2 10: 204 191 205 206 192 189 218 74 148 133 0.997 19.32 0.9 86 85 86 86 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9013 1930.8 2.7 scans 84% TIC 0.71% 0.105% 1313 0.6 190 139740 0.121% 1361939 1330475 1560699 3-0 0.994 19.91 -0.9 97 96 96 97 361 9.1 0.228 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1038 C16:0 21.1208 2030.2 2.6 scans 97% 313 m/z 0.077% 1.94% 1429 0.7 835 1287090 25101646 24586300 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 74 201 315 116 269 1.000 20.62 41.9 95 99 99 100 328 94.5 1.283 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2677 2127.6 2.6 scans 33% 327 m/z 9.1% 0.0115% 1538 1.1 65 10905 148591 148591 0-0 2: 327 328 0.892 22.33 -5.4 88 90 75 90 342 8.4 1.640 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.9611 2188.1 2.9 scans 24% 204 m/z 2.9% 0.0206% 1604 0.9 80 33797 0.0293% 266528 227699 377921 4-1 7: 204 205 217 249 206 218 250 0.963 22.71 21.6 84 84 79 89 518 0.0 0.000 0.247 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1042 C18:2 23.0232 2193.6 3.2 scans 80% TIC 0.87% 0.315% 1610 1.8 332 113659 1.27% 4069858 4069858 16380886 0-0 0.991 22.53 42.8 93 97 97 99 352 21.3 0.412 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1036 C18:0 23.3862 2226.4 2.8 scans 91% 341 m/z 0.20% 0.852% 1644 1.0 533 494668 10994300 10265342 4-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 69 343 74 201 297 116 0.998 22.89 44.6 94 99 98 99 356 68.3 1.638 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.6997 2255.1 2.8 scans 58% 163 m/z (337) 0.63% 0.120% 1674 1.0 195 157491 1555415 1440293 2-7 10: 163 331 164 165 161 332 88 178 162 90 0.954 23.72 -1.8 94 96 93 97 331 42.7 4.811 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN LQC1-N1028 Glycerolgalactose 24.1322 2294.6 3.8 scans 30% 204 m/z (333) 1.7% 0.0461% 1715 0.8 104 56012 0.0693% 595843 551847 893855 0-2 11: 204 205 217 337 206 338 218 191 101 243 305 0.972 24.01 11.1 86 88 81 88 490 0.0 0.000 0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6190 2437.2 3.5 scans 55% 91 m/z 0.96% 0.0754% 1856 1.5 139 103813 972742 872737 3-4 19: 91 117 194 207 92 65 115 208 312 193 178 104 118 51 195 78 128 102 89 0.986 25.61 0.9 96 96 95 96 312 17.5 1.585 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2945 2504.3 >6 scans 33% TIC 2.1% 0.0303% 1921 0.5 113 47083 0.102% 392033 392033 1315630 0-0 0.919 25.86 43.6 82 87 82 96 361 10.1 0.000 0.438 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5512 2530.8 3.2 scans 70% TIC 0.37% 0.392% 1945 1.6 364 264551 0.701% 5058397 4989438 9041733 1-1 0.961 26.57 -2.3 99 99 92 99 512 119.0 10.713 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1028 C16:0-glycerol 26.9237 2569.3 3.0 scans 90% 371 m/z 0.051% 2.23% 1980 0.7 844 1935310 28842200 28280394 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 85 1.000 26.39 54.7 91 98 97 100 459 108.5 1.655 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1030 C18:0-1-glycerol 28.7198 2763.2 2.7 scans 91% 399 m/z 0.077% 1.35% 2151 0.9 694 1298400 17413393 16377633 1-1 20: 399 400 73 147 129 57 205 203 401 487 103 55 71 116 145 75 101 267 117 85 1.000 28.19 59.3 89 98 97 100 487 90.8 1.711 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4138 2956.7 2.9 scans 67% 193 m/z 0.65% 0.316% 2312 1.1 330 153837 4086670 3924763 1-1 15: 193 119 105 163 120 194 176 91 103 206 171 247 515 325 121 0.988 30.36 6.6 95 94 96 94 529 13.5 0.167 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6744 3106.5 6.8 scans 8.7% TIC 3.3% 0.00219% 2432 0.9 78 29967 0.0493% 28289 27774 635888 0-1 0.732 31.68 -0.1 82 86 71 84 597 13.8 3.079 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN WTF2-N1076 Ntb_Disaccharide 33.1min 33.7093 3348.1 5.8 scans 15% 204 m/z 1.3% 0.0754% 2625 1.7 137 75251 973132 583380 0-15 11: 204 479 480 73 481 205 217 191 206 305 129 0.892 33.14 67.2 80 95 82 96 479 33.4 5.943 0.566 G:\GCMS data\Nicotiana Panel nonpolar repeated\ExBlk6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8787 3368.3 3.5 scans 37% 441 m/z 0.42% 0.210% 2641 1.0 243 237988 2719753 2466354 1-2 11: 441 57 442 308 646 443 647 200 237 427 648 0.970 33.80 9.9 98 97 94 98 646 38.2 2.472 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN EXBLK5S-N1006 Contamination 6.3720 1048.3 4.3 scans 27% 207 m/z 3.5% 0.00840% 27 2.6 64 28242 273683 261133 1-3 6: 207 295 208 296 209 191 0.897 6.63 -15.0 88 88 56 89 295 24.3 14.271 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1192 Contamination 7.9724 1143.2 2.6 scans 95% 73 m/z 0.098% 0.426% 179 0.8 588 1013646 0.468% 13871993 12729234 15237141 3-2 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 100 75 149 131 134 221 0.996 7.99 -1.0 99 98 97 99 235 117.3 3.984 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1188 Contamination 8.3217 1163.9 3.9 scans 42% 281 m/z 7.9% 0.00723% 212 2.3 64 12599 235609 235609 0-1 9: 281 369 282 168 154 152 283 370 207 0.615 8.41 -5.5 85 83 62 92 369 18.3 8.147 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1186 Phosphate 8.5058 1174.8 2.3 scans 95% 241 m/z 0.21% 0.0875% 230 1.1 298 467005 2848917 2848917 0-0 20: 241 242 133 73 211 163 243 256 135 195 59 98 89 137 119 134 257 121 147 212 0.998 8.56 -3.2 100 100 99 100 299 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1180 Benzoic acid 9.6696 1243.2 3.4 scans 28% 179 m/z 7.1% 0.00616% 341 0.5 60 13898 0.00776% 200842 186466 252650 1-0 6: 179 105 135 77 180 194 0.592 9.76 -5.3 91 91 79 94 194 9.7 2.556 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN VEN77_S6-N1002 Glycerol 10.0452 1265.2 6.2 scans 98% 301 m/z 0.011% 5.33% 376 0.2 1427 8406216 173537109 173537109 0-0 20: 301 315 316 285 212 267 136 190 143 197 153 239 166 139 90 152 106 126 157 229 0.998 10.09 -2.8 98 96 91 99 299 778.8 29.963 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1174 Proline 10.4366 1288.1 4.0 scans 37% 142 m/z 5.2% 0.00316% 414 0.9 42 19180 102917 102917 1-0 2: 142 143 0.857 10.55 -6.3 88 91 67 91 142 37.2 79.646 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6639 1301.4 2.9 scans 71% 199 m/z 1.1% 0.0517% 435 0.8 198 84670 1683886 1678802 2-0 17: 199 75 117 145 132 129 200 131 118 74 81 61 76 201 155 72 119 0.812 10.73 -4.2 96 95 93 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0017 1321.8 2.9 scans 52% 184 m/z 6.2% 0.00629% 467 0.8 70 16013 0.00804% 205035 203571 261766 1-0 9: 184 134 285 174 86 77 100 185 227 1.000 11.06 -3.7 91 91 80 91 285 23.2 11.086 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3741 1344.2 3.9 scans 88% 57 m/z 0.52% 0.0820% 502 0.7 217 191128 0.0869% 2671975 2562592 2829290 2-2 19: 57 97 115 145 127 69 55 129 56 59 111 109 128 72 87 83 98 201 114 0.983 11.45 -4.3 99 98 97 99 145 61.8 8.091 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN TAB_REP6-N1026 Malic acid 13.4564 1472.8 2.6 scans 89% 73 m/z 0.50% 0.0674% 700 1.0 238 199120 2196869 2185049 1-0 20: 73 147 233 245 189 133 148 190 75 74 149 191 175 55 335 101 234 217 246 59 0.997 13.53 -4.8 96 95 93 95 335 26.5 1.232 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9499 1504.0 2.7 scans 56% 156 m/z 3.1% 0.00637% 747 1.1 72 31927 207589 207589 0-0 6: 156 258 157 230 232 158 1.000 14.11 -10.7 85 82 81 92 273 0.0 0.000 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2645 1524.9 2.6 scans 56% 263 m/z 1.0% 0.0211% 777 1.0 134 99939 687651 684004 0-1 14: 263 264 278 447 265 239 279 175 342 448 128 247 131 449 0.967 14.33 -4.1 88 83 86 97 278 32.6 5.882 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6622 1551.3 2.6 scans 33% 174 m/z 9.0% 0.00172% 815 1.0 40 11024 56264 56264 0-0 4: 174 176 175 86 1.000 14.16 33.0 82 87 71 87 250 7.4 3.507 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1044 Dodecanol 14.7170 1554.9 2.5 scans 62% 243 m/z 2.3% 0.0123% 820 1.1 104 42788 401931 401931 0-1 10: 243 244 103 89 97 245 101 61 76 111 0.930 14.24 31.5 93 96 88 97 243 55.6 28.349 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1848 1654.7 2.9 scans 36% 290 m/z (174) 1.4% 0.0176% 960 1.7 109 70548 575269 552923 1-1 5: 290 291 292 392 144 0.860 16.28 -6.4 92 92 81 97 392 15.7 2.072 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5310 1678.7 3.0 scans 54% TIC 4.5% 0.00469% 993 1.2 84 22100 0.0607% 153003 153003 1976270 0-0 0.993 16.63 -6.7 81 82 85 82 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1010 Glycerol-P 17.4800 1746.9 3.0 scans 98% 357 m/z 0.029% 2.72% 1083 0.6 1430 3361249 88728541 88607559 1-0 20: 357 299 73 147 358 315 300 370 445 211 101 103 359 129 301 133 387 256 218 131 0.999 16.97 37.4 96 99 98 99 445 219.9 2.367 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN TAB_REP6-N1048 Citric acid 18.2366 1802.3 2.7 scans 66% 273 m/z 2.2% 0.0185% 1155 1.0 124 45098 604303 602385 1-0 15: 273 363 375 274 347 465 305 149 148 231 257 376 466 349 72 0.985 18.24 -0.5 94 92 85 96 465 17.0 1.872 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.0 scans 95% TIC 0.034% 3.02% 1173 0.5 1263 2890258 98529206 95326664 1-3 0.992 17.91 38.3 96 99 98 100 327 117.5 0.866 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.2 scans 98% 68 m/z 0.051% 2.14% 1186 0.5 1219 1944109 2.33% 69982186 68961532 75860127 1-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 70 85 1.000 18.04 39.1 94 98 99 99 278 70.8 0.337 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1016 Hexadecene 18.6206 1831.5 2.7 scans 93% TIC 0.22% 0.248% 1191 1.5 451 445841 5.28% 8098382 8006777 171906211 0-1 0.997 18.10 39.1 86 86 93 97 280 62.5 1.919 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6459 1833.5 2.7 scans 57% 285 m/z (70) 2.1% 0.0263% 1194 1.0 147 46013 858041 853664 2-0 15: 285 117 132 129 145 286 118 287 116 201 130 61 241 257 146 0.973 18.73 -6.2 93 95 86 95 300 14.0 0.911 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1076 Pregnane?? 18.7679 1842.8 2.8 scans 79% TIC 1.4% 0.0272% 1205 1.4 158 70482 0.324% 885673 885673 10548790 0-0 0.990 18.86 -6.9 89 88 82 88 537 8.8 0.310 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8500 1849.0 2.7 scans 94% 81 m/z 0.29% 0.316% 1213 0.9 518 334102 10307842 9714768 1-4 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 111 110 0.999 18.58 20.6 97 95 98 99 278 58.4 1.275 0.271 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1018 Fructose 18.9436 1856.2 3.6 scans 60% TIC 2.3% 0.0206% 1222 1.1 117 41788 0.238% 672351 588216 7748803 0-1 0.986 18.52 31.9 83 84 80 90 364 10.0 0.741 0.419 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN BRA4_R~2-N1004 Galactose 19.2667 1880.8 >4 scans 44% TIC 3.8% 0.00576% 1253 1.3 82 25888 0.347% 187619 187619 11297624 0-0 0.976 19.36 -7.3 88 88 78 88 364 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9106 1931.6 2.7 scans 55% 204 m/z 0.99% 0.0240% 1314 1.1 144 100516 0.0302% 782899 750675 983251 0-2 14: 204 159 217 205 206 218 191 160 219 243 305 291 203 130 0.842 19.91 -0.1 92 92 73 92 361 6.4 0.200 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7850 2001.9 2.6 scans 94% 75 m/z 0.19% 0.516% 1397 0.9 671 501275 0.634% 16807838 16127786 20641769 0-1 20: 75 73 79 67 93 95 91 129 80 108 55 81 117 94 121 77 307 107 135 105 0.999 20.27 41.7 83 83 95 98 322 44.2 0.434 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1038 C16:0 21.1427 2032.0 3.0 scans 97% 313 m/z 0.035% 2.11% 1431 0.6 1245 2816009 68797267 68146019 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 57 118 133 69 74 201 315 116 269 1.000 20.62 43.7 94 99 99 100 328 138.2 1.233 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6583 2075.3 2.8 scans 63% 305 m/z 2.1% 0.0293% 1480 1.0 156 46281 955128 894542 3-2 17: 305 217 318 147 191 306 265 319 218 307 320 432 367 433 192 291 219 0.977 21.75 -7.6 93 93 88 93 507 9.2 0.348 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1718 2119.2 2.7 scans 28% 396 m/z 3.8% 0.00995% 1529 1.0 90 26062 0.0133% 324168 324168 433021 0-0 8: 396 219 397 381 398 191 220 382 0.622 22.19 -1.3 88 88 68 90 396 36.2 16.101 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2728 2128.0 2.8 scans 26% 327 m/z (84) 4.4% 0.0126% 1539 0.9 97 22329 0.0131% 410681 410681 426510 0-0 6: 327 132 328 342 201 329 0.936 22.33 -5.0 89 91 75 93 342 13.0 1.783 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1042 C18:2 23.0798 2198.5 >8 scans 80% TIC 0.10% 2.33% 1615 0.6 868 969568 7.24% 76070859 72102030 235719881 4-0 0.980 22.53 47.7 87 92 94 98 352 53.1 0.374 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1808 2207.7 5.1 scans 90% 79 m/z 0.041% 5.44% 1625 0.3 1578 2403621 7.16% 177410112 160315285 233115241 0-8 20: 79 75 73 95 93 108 67 80 335 81 107 91 129 94 121 55 135 149 117 77 0.998 23.12 5.9 97 96 98 96 350 112.1 0.505 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1036 C18:0 23.4071 2228.3 2.8 scans 94% TIC 0.090% 0.797% 1646 1.0 801 1108603 25954224 25230861 2-3 0.988 22.89 46.5 93 99 97 99 356 100.9 1.585 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1004 Prostaglandin 23.7564 2260.3 2.9 scans 70% 73 m/z 0.65% 0.0948% 1679 0.9 293 152511 0.149% 3086644 3086644 4851141 0-0 19: 73 169 231 143 147 211 81 156 195 117 181 182 170 221 183 107 232 235 317 0.972 23.76 -0.1 97 96 93 96 360 23.9 0.668 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1006 Androsterone 23.8942 2272.9 3.2 scans 38% 143 m/z 2.4% 0.0192% 1692 1.1 125 40763 0.0601% 627951 627951 1956735 0-0 13: 143 187 144 255 188 135 145 122 202 134 189 157 156 0.928 23.89 0.5 81 77 77 92 345 3.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1012 Androsterone 24.23min 24.2741 2307.9 >3 scans 46% 143 m/z 0.83% 0.0246% 1729 1.3 134 120447 0.0538% 801007 760484 1751620 0-4 7: 143 144 156 145 272 155 170 0.934 24.23 4.1 89 88 84 90 362 10.1 0.568 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1018 myo-Inositol 25.2137 2397.2 3.4 scans 77% TIC 0.49% 0.172% 1818 1.1 330 203645 0.269% 5605101 5603926 8758101 1-0 0.977 25.21 0.4 97 96 96 99 470 21.5 0.425 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6156 2436.9 3.1 scans 69% 91 m/z 0.27% 0.0943% 1856 1.1 259 360501 0.113% 3070515 2843206 3679053 4-5 20: 91 117 194 207 92 115 65 208 193 77 103 312 104 118 51 78 116 128 195 178 0.952 25.61 0.6 97 95 97 99 312 28.5 1.209 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2974 2504.6 2.9 scans 40% 204 m/z 1.1% 0.0285% 1921 1.1 149 87333 930492 766331 17-0 9: 204 217 205 219 206 218 305 232 220 0.934 25.86 43.9 87 91 92 98 361 4.3 0.000 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5563 2531.3 2.8 scans 30% 512 m/z 1.6% 0.0325% 1945 1.0 159 62445 1058618 1056979 1-0 17: 512 455 247 513 456 483 248 263 514 349 457 484 249 423 235 515 264 0.910 26.57 -1.8 93 93 73 94 512 58.3 13.469 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9298 2569.9 2.8 scans 92% 371 m/z 0.052% 0.828% 1981 0.8 838 1894392 26974085 26129111 1-1 20: 371 73 372 147 129 57 205 203 239 55 103 71 373 459 116 75 145 117 85 101 1.000 26.39 55.3 90 97 98 100 459 100.5 1.441 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1008 Sucrose 27.4222 2621.5 3.0 scans 43% 361 m/z (397) 0.45% 0.126% 2028 1.0 289 221595 4123881 3522158 0-21 18: 361 217 362 147 437 363 103 271 451 438 218 243 319 452 439 364 219 331 0.924 27.59 -18.0 96 97 89 98 437 52.2 3.276 -0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN LQC1-N1010 Sucrose 27.4275 2622.0 3.4 scans 54% TIC 0.41% 0.113% 2028 1.2 323 239114 0.377% 3700298 3482590 12274364 2-0 0.783 27.58 -16.2 93 91 85 97 437 48.2 2.230 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7291 2764.2 2.8 scans 89% 399 m/z 0.084% 0.533% 2152 0.9 675 1179846 17379198 17114251 0-1 20: 399 73 400 147 57 129 205 203 55 103 71 401 487 116 145 75 101 117 267 85 0.999 28.19 60.3 89 98 98 100 487 82.1 1.481 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN SQUALENE-N1017 Squalene STD 29.0837 2804.1 2.8 scans 75% 69 m/z 0.17% 0.184% 2186 1.0 386 565225 6019202 5758489 1-1 19: 69 81 137 68 95 136 121 93 67 123 149 107 109 82 70 135 94 53 79 0.992 29.09 -1.0 97 97 99 98 410 18.0 0.218 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8360 2888.7 3.1 scans 63% 57 m/z 0.32% 0.140% 2257 1.5 321 309263 4590182 3995493 7-3 19: 57 71 85 55 99 69 83 56 70 113 84 127 111 141 58 98 155 126 112 0.993 29.83 1.0 98 96 99 99 408 17.8 0.306 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1038 Hexacosanol 30.2190 2933.6 3.8 scans 92% 439 m/z 0.019% 2.36% 2294 0.4 1196 5095594 77150675 73688961 1-1 20: 439 440 75 103 57 73 441 97 83 69 55 71 91 89 85 111 101 61 99 82 1.000 30.17 5.5 98 96 94 100 439 606.3 25.874 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4242 2958.0 2.8 scans 55% 193 m/z (173) 0.70% 0.117% 2313 1.1 309 142806 3815237 3642067 1-1 12: 193 119 105 163 120 176 194 206 247 171 515 325 0.979 30.36 7.9 89 90 96 93 529 13.9 0.201 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1048 Hentriacontane 31.6826 3107.4 13.6 scans 96% 57 m/z 0.018% 13.1% 2433 0.1 1580 5420151 429053301 418441254 1-1 20: 57 71 85 99 55 113 83 69 97 127 56 70 141 111 155 84 169 98 125 183 0.999 31.53 17.9 99 98 99 99 436 83.3 0.278 0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8741 3130.2 4.7 scans 73% 502 m/z (70) 0.098% 0.678% 2451 0.7 575 1015491 22093438 21627950 1-1 18: 502 237 503 236 238 504 277 221 239 505 193 223 235 262 275 261 249 247 0.968 31.79 9.8 98 99 97 99 502 270.7 22.156 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3307 3184.4 3.0 scans 35% 57 m/z 0.23% 0.197% 2494 1.2 393 420465 0.223% 6435518 5940516 7260433 3-6 15: 57 71 85 99 83 56 70 113 127 84 141 98 112 72 58 0.912 32.33 0.5 81 85 95 90 785 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1004 Campesterol 32.8211 3242.6 3.4 scans 87% 129 m/z 0.13% 1.28% 2541 0.6 928 760839 41685284 40116454 1-1 20: 129 343 382 73 472 367 95 75 121 107 145 119 81 105 344 71 383 342 57 55 0.994 32.21 72.5 84 95 97 99 472 129.8 1.954 0.611 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1046 Stigmasterol 32.9999 3263.9 3.3 scans 82% TIC 0.19% 0.701% 2558 0.7 752 523885 22826215 22376615 1-0 0.985 32.98 2.1 96 95 98 98 665 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1283 3279.1 3.4 scans 85% TIC 0.045% 1.25% 2570 0.6 949 2207961 1.90% 40783316 38871262 61860190 3-1 0.995 33.10 3.7 86 81 96 95 515 13.1 0.019 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN WTF2-N1034 b-Sitosterol 33.5145 3325.0 3.8 scans 87% 129 m/z 0.098% 1.86% 2607 0.5 1071 1011527 2.06% 60844608 59305974 67069469 1-3 20: 129 357 396 73 381 486 95 75 121 119 107 57 81 145 358 105 397 356 55 159 1.000 32.88 75.7 85 97 98 99 486 149.1 1.938 0.637 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.6050 3335.7 3.2 scans 33% 386 m/z 2.1% 0.102% 2615 1.0 263 45771 0.155% 3347023 2997042 5046489 2-2 5: 386 296 387 257 371 0.960 33.58 2.4 88 89 90 93 505 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8964 3370.4 3.4 scans 11% 441 m/z 1.5% 0.0189% 2643 1.1 113 63180 618364 596835 1-1 5: 441 442 308 646 647 0.940 33.80 12.0 93 94 77 95 646 19.1 2.859 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5909 3452.8 3.7 scans 40% 596 m/z 0.31% 0.149% 2709 0.9 301 315586 4867152 4812717 1-4 15: 596 597 598 331 316 302 599 315 318 356 303 317 300 342 330 0.978 34.47 14.1 97 96 88 99 596 150.9 25.081 0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN EXBLK5S-N1006 Contamination 6.3700 1048.2 5.4 scans 62% TIC 0.81% 0.0193% 27 1.1 170 123088 0.0790% 691393 659924 2825095 1-0 0.994 6.63 -15.1 96 95 84 96 295 50.6 8.843 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1192 Contamination 8.0030 1145.0 2.7 scans 95% TIC 0.088% 0.496% 182 0.9 630 1125495 0.629% 17747847 14489861 22493482 19-1 0.995 7.99 0.8 99 98 97 99 235 127.9 4.117 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1188 Contamination 8.3082 1163.1 2.2 scans 62% 281 m/z 3.2% 0.00932% 211 1.1 102 30759 0.00961% 333575 301355 343660 2-4 12: 281 147 369 282 283 370 265 148 371 207 249 191 0.835 8.41 -6.3 94 92 69 97 369 28.5 7.731 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1186 Phosphate 8.5375 1176.7 2.3 scans 97% 241 m/z 0.063% 0.275% 233 0.9 555 1566594 9837457 9837457 0-0 19: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 137 134 121 257 1.000 8.56 -1.3 100 99 99 100 299 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1180 Benzoic acid 9.6876 1244.3 3.4 scans 46% 179 m/z 7.3% 0.00519% 342 0.7 56 13619 0.00613% 185618 149811 219213 3-0 7: 179 105 135 77 180 51 194 0.886 9.76 -4.2 93 94 84 94 194 8.1 2.148 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN VEN77_S6-N1002 Glycerol 10.0580 1265.9 7.1 scans 95% 299 m/z 0.011% 5.50% 377 0.2 1427 8381986 196924217 196014089 1-0 14: 299 302 303 286 271 268 200 142 144 201 257 86 114 156 0.997 10.09 -2.1 98 97 93 98 299 785.4 30.473 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1174 Proline 10.4578 1289.3 6.7 scans 33% TIC 4.7% 0.00293% 415 0.5 51 21113 0.0461% 104932 104932 1648568 0-0 0.752 10.55 -5.1 83 85 78 90 142 39.4 59.100 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6777 1302.3 3.3 scans 51% 199 m/z (69) 1.2% 0.0454% 436 0.7 176 77478 1623800 1512815 10-1 20: 199 75 117 73 145 132 129 200 131 118 74 81 61 76 79 72 201 155 133 95 0.943 10.73 -3.3 90 91 86 96 209 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0155 1322.6 3.0 scans 59% 184 m/z 4.7% 0.0115% 468 0.8 97 21153 413419 396787 1-2 13: 184 134 285 174 86 100 227 185 286 172 135 186 175 0.986 11.06 -2.9 88 87 73 91 285 27.5 7.985 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3837 1344.8 5.4 scans 84% TIC 0.58% 0.0923% 503 0.5 211 171158 0.136% 3303731 3169817 4863455 2-0 0.959 11.45 -3.7 97 97 95 99 145 59.4 7.889 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN TAB_REP6-N1026 Malic acid 13.4618 1473.1 2.6 scans 78% 73 m/z 1.3% 0.0264% 701 0.8 165 75880 945362 908632 2-1 20: 73 147 233 177 245 133 189 190 148 149 175 191 101 55 74 234 335 265 178 135 0.949 13.53 -4.5 85 84 79 86 335 17.8 1.162 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9574 1504.5 2.8 scans 28% 156 m/z 3.7% 0.00447% 748 1.1 64 26389 160032 150755 1-1 6: 156 157 258 230 199 158 0.963 14.11 -10.2 84 82 77 90 273 0.0 0.000 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2709 1525.3 2.7 scans 63% 263 m/z 0.73% 0.0270% 778 1.0 160 136128 966594 938692 1-1 16: 263 264 278 447 265 448 342 279 175 449 247 207 343 280 151 191 0.980 14.33 -3.7 82 75 82 96 278 39.0 5.894 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1044 Dodecanol 14.7223 1555.3 2.7 scans 61% 243 m/z 1.5% 0.0153% 821 1.0 119 65622 0.0154% 548458 533789 550715 1-0 10: 243 244 103 89 97 245 101 61 115 241 0.897 14.24 31.9 92 95 85 96 243 69.5 33.875 0.480 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1880 1654.9 2.8 scans 26% 290 m/z (195) 1.1% 0.0127% 960 1.8 100 84023 456249 439668 1-1 5: 290 291 292 144 393 0.934 16.28 -6.2 89 94 62 94 392 13.2 1.745 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5353 1679.0 3.1 scans 53% TIC 3.7% 0.00470% 993 1.4 94 26751 0.0756% 168089 168089 2703509 0-0 0.992 16.63 -6.4 85 85 88 85 210 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1010 Glycerol-P 17.4896 1747.6 3.3 scans 95% 357 m/z 0.026% 3.01% 1084 0.5 1525 3770684 107756777 99414036 1-1 20: 357 299 73 147 358 315 300 370 445 211 103 101 129 359 301 133 256 387 218 328 0.997 16.97 38.1 96 99 98 99 445 234.9 2.374 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4282 1816.9 4.1 scans 94% TIC 0.032% 2.89% 1173 0.6 1307 3051460 5.40% 103391674 94953020 193107791 1-4 0.978 17.91 38.7 96 99 98 100 327 122.8 0.883 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1012 Phytol 18.5734 1827.9 3.4 scans 96% 68 m/z 0.046% 2.29% 1187 0.4 1299 2147610 2.65% 81971955 78223061 94765860 4-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 85 1.000 18.04 39.8 94 98 99 99 278 78.1 0.362 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1016 Hexadecene 18.6281 1832.1 2.7 scans 92% TIC 0.17% 0.270% 1192 1.3 514 559933 5.32% 9690699 9364240 190246935 0-1 0.998 18.10 39.7 85 86 93 97 280 73.0 2.017 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6491 1833.7 2.7 scans 34% 285 m/z (70) 1.7% 0.0264% 1194 1.0 157 55682 0.630% 946689 891992 22529242 2-1 16: 285 117 132 129 286 145 118 131 287 116 61 300 130 76 201 241 0.942 18.73 -6.0 93 95 82 95 300 15.1 0.926 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8564 1849.5 2.6 scans 94% 81 m/z 0.24% 0.352% 1214 0.9 572 402264 12599746 12497359 0-3 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 124 97 109 278 110 111 56 0.995 18.58 21.1 96 94 98 99 278 65.2 1.300 0.277 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1018 Fructose 18.9448 1856.3 6.2 scans 66% TIC 1.3% 0.0143% 1222 1.0 151 72595 0.303% 511700 511700 10835493 0-0 0.988 18.52 32.0 90 92 91 95 364 13.9 0.841 0.420 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9448 1856.3 2.8 scans 56% 73 m/z 1.6% 0.0200% 1222 0.7 139 60383 0.0312% 715979 655455 1115734 0-2 20: 73 103 307 217 147 308 277 218 104 133 189 309 74 117 205 131 364 89 148 172 0.974 18.40 41.3 89 94 92 94 364 13.6 0.957 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1002 Phytol 18.8min 19.1047 1868.5 3.0 scans 96% 81 m/z 0.13% 0.755% 1237 0.7 791 757038 26999975 26224947 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.84 20.2 93 91 98 93 278 106.9 1.826 0.265 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN BRA4_R~2-N1004 Galactose 19.2647 1880.7 4.2 scans 54% TIC 2.1% 0.0122% 1252 1.3 127 45653 0.491% 439742 439742 17558505 0-0 0.979 19.36 -7.4 91 91 82 92 364 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9149 1931.9 2.8 scans 69% 204 m/z 0.40% 0.0655% 1314 1.3 241 245730 0.0774% 2345214 2097011 2767878 0-3 16: 204 159 217 205 147 206 129 218 103 189 191 160 243 305 219 291 0.975 19.91 0.2 97 96 93 98 361 11.0 0.207 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7946 2002.7 2.8 scans 95% TIC 0.13% 0.764% 1398 0.7 837 747720 1.01% 27324179 26374369 36118309 0-1 0.998 20.27 42.5 83 83 94 99 322 57.0 0.464 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1038 C16:0 21.1534 2032.9 3.4 scans 97% 313 m/z 0.029% 2.50% 1432 0.5 1371 3370032 89565185 89563027 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 69 57 201 74 315 116 269 1.000 20.62 44.6 94 99 99 100 328 155.2 1.283 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6647 2075.9 2.8 scans 38% 305 m/z 4.3% 0.0115% 1481 1.1 99 23110 0.0121% 413987 382564 432704 1-2 15: 305 217 318 191 306 265 319 218 307 367 432 433 192 291 266 0.989 21.75 -7.0 85 86 71 86 507 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN FAME-N1014 C18:0-methyl ester 22.0856 2111.7 3.0 scans 29% 74 m/z 3.0% 0.00968% 1521 1.1 90 32592 346427 337184 1-1 7: 74 87 298 255 88 199 267 0.736 22.28 -16.6 83 85 69 84 298 20.8 5.306 -0.190 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1782 2119.8 3.1 scans 9.3% 396 m/z 11% 0.00269% 1529 1.4 46 9087 0.00372% 96305 96305 133030 0-0 6: 396 219 397 398 381 220 0.711 22.19 -0.7 82 85 49 85 396 25.9 31.051 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2792 2128.6 2.8 scans 20% 327 m/z (204) 3.7% 0.0139% 1539 1.1 112 26854 498448 498448 1-0 4: 327 328 342 329 0.840 22.33 -4.4 89 93 69 93 342 14.0 1.562 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1040 Phytol 22.6243 2158.7 3.7 scans 93% 143 m/z 0.040% 0.713% 1572 1.0 700 2474427 25501036 24346308 5-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 97 82 83 67 74 96 0.999 22.08 47.2 81 82 90 97 181 10.6 0.023 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1042 C18:2 23.1136 2201.5 >8 scans 66% 73 m/z 0.073% 2.84% 1618 0.3 970 1367135 6.71% 101762212 100393598 239954310 1-0 20: 73 81 67 55 129 117 109 74 136 132 72 188 187 98 118 216 159 226 84 177 0.991 22.53 50.7 82 87 82 94 352 63.7 0.432 0.580 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1957 2209.0 4.6 scans 87% 339 m/z 0.043% 4.73% 1626 0.9 1536 2314281 8.37% 169165003 158287365 299317076 0-4 18: 339 340 98 84 222 264 180 354 200 341 223 257 236 272 353 311 270 246 0.937 23.12 7.2 99 98 92 98 350 113.1 0.542 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1036 C18:0 23.4177 2229.3 2.9 scans 91% TIC 0.071% 0.998% 1647 1.1 902 1406061 35695280 32502169 3-7 0.971 22.89 47.5 93 99 95 99 356 116.7 1.676 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1006 17-Methyltestosterone 23.8659 2270.3 3.0 scans 61% 143 m/z 0.55% 0.0968% 1690 1.1 282 179150 3463946 3369566 1-2 12: 143 345 293 360 144 407 265 318 257 346 361 294 0.967 23.88 -1.0 96 96 90 96 450 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1490 2296.2 3.3 scans 27% 204 m/z (73 98) 0.94% 0.0287% 1717 1.0 140 106160 0.0335% 1028470 904088 1197984 2-9 11: 204 217 205 337 103 206 338 219 361 243 319 0.849 24.01 12.7 84 89 70 90 490 0.0 0.000 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1490 2296.2 3.3 scans 29% 204 m/z 0.94% 0.0282% 1717 1.0 145 106046 0.0329% 1011990 889601 1176527 2-9 11: 204 217 205 337 103 206 338 219 361 243 319 0.614 24.18 -2.9 84 83 67 87 581 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1018 myo-Inositol 25.2180 2397.6 3.4 scans 77% TIC 0.41% 0.256% 1818 1.4 377 241115 0.371% 9165516 6608051 13267220 3-9 0.980 25.21 0.8 97 95 95 99 470 25.2 0.446 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1022 Steroid 25.47min 2422 25.4790 2423.4 3.2 scans 24% 143 m/z (369) 2.0% 0.0364% 1843 0.9 161 49379 1301720 1129385 3-3 16: 143 182 195 169 374 196 183 265 170 144 375 284 266 167 184 359 0.745 25.47 1.2 85 89 66 93 374 26.8 2.776 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6231 2437.6 3.4 scans 58% 91 m/z 0.44% 0.0582% 1857 1.2 206 224386 0.0803% 2081970 1919206 2871584 4-3 19: 91 117 194 207 92 208 65 115 193 312 103 104 118 51 78 178 116 128 179 0.939 25.61 1.3 97 97 96 98 312 24.1 1.371 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3039 2505.3 3.1 scans 53% 204 m/z 0.64% 0.0511% 1921 1.4 202 153850 0.196% 1829573 1604152 7009098 18-0 10: 204 217 205 147 219 206 218 305 189 306 0.956 25.86 44.6 87 90 92 99 361 11.0 0.299 0.448 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5627 2532.0 2.9 scans 32% 512 m/z (218) 1.7% 0.0361% 1946 1.1 176 56955 1292585 1245269 1-1 17: 512 455 247 513 456 483 514 248 263 349 457 497 484 423 235 234 409 0.968 26.57 -1.1 93 95 81 96 512 62.9 12.765 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9373 2570.7 3.0 scans 91% 371 m/z 0.044% 0.973% 1982 0.8 909 2226895 34825375 32378965 1-2 20: 371 372 73 147 129 57 205 203 239 373 55 459 103 71 116 75 145 117 85 101 1.000 26.39 56.1 90 98 98 100 459 113.3 1.557 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1008 Sucrose 27.4255 2621.8 2.9 scans 38% 361 m/z (397) 0.72% 0.0663% 2028 1.1 240 138858 2371362 2298734 1-3 11: 361 362 437 363 271 451 438 439 452 364 272 0.933 27.59 -17.7 94 95 89 96 437 42.9 3.206 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN LQC1-N1014 Sucrose 27.4255 2621.8 2.9 scans 29% 361 m/z 0.71% 0.0490% 2028 1.1 210 139043 1754974 1701224 1-3 11: 361 362 437 363 271 451 438 439 452 364 272 0.661 27.49 -6.9 97 97 82 97 437 42.9 4.179 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6097 2641.5 3.4 scans 28% 99 m/z 0.97% 0.0528% 2046 1.1 213 102732 0.119% 1891588 1891588 4255524 0-0 18: 99 71 214 189 205 296 287 173 100 368 142 270 187 240 227 190 288 212 0.725 27.64 -3.5 85 86 83 86 632 9.9 0.216 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3736 2724.2 3.3 scans 43% 99 m/z 0.57% 0.0534% 2118 1.5 228 174957 0.170% 1910200 1910200 6079319 0-0 18: 99 71 189 173 283 171 145 385 184 187 185 100 273 286 287 269 288 284 0.986 28.41 -4.2 84 83 78 87 603 5.4 0.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5124 2739.9 3.9 scans 45% 99 m/z (129) 0.62% 0.0748% 2131 1.3 227 160470 0.444% 2677819 2648383 15877752 0-1 19: 99 85 57 71 255 100 242 241 283 269 159 173 341 185 86 243 256 357 284 0.964 28.55 -4.3 83 85 88 87 559 8.2 0.130 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6713 2757.7 >3 scans 33% TIC 1.2% 0.00888% 2146 1.1 150 78537 0.261% 317611 317611 9333543 0-0 0.939 28.69 -1.7 87 87 87 88 603 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7355 2765.0 3.1 scans 89% 399 m/z 0.076% 0.659% 2153 1.0 712 1300137 23586341 21705027 4-2 20: 399 400 73 147 129 57 205 203 55 103 487 401 71 116 145 101 75 85 117 97 0.999 28.19 61.1 89 97 97 100 487 88.5 1.548 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN SQUALENE-N1017 Squalene STD 29.0890 2804.7 3.5 scans 62% TIC 0.44% 0.0538% 2186 1.8 245 222876 0.334% 1925187 1919117 11944074 1-0 0.984 29.09 -0.4 89 89 94 89 410 12.5 0.260 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1032 Sterol 29.17min 2814 29.1827 2815.3 4.1 scans 64% TIC 0.17% 0.100% 2195 1.3 328 567104 0.335% 3599869 3599869 11979835 0-0 0.980 29.17 1.6 93 91 91 98 355 28.5 0.753 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8445 2889.7 4.6 scans 62% 57 m/z 0.50% 0.116% 2258 1.7 262 199862 4177055 3706746 6-2 20: 57 71 85 55 99 69 83 97 56 70 113 127 84 98 111 141 58 72 126 112 0.994 29.83 2.0 98 96 99 98 408 15.1 0.333 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1038 Hexacosanol 30.2191 2933.6 3.9 scans 92% 439 m/z 0.021% 2.10% 2294 0.5 1143 4684380 2.55% 75341579 68975501 91189790 2-2 20: 439 440 75 57 103 73 441 83 97 69 55 71 91 89 85 111 61 101 99 56 1.000 30.17 5.5 99 97 95 100 439 587.1 26.559 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4337 2959.1 3.4 scans 57% 193 m/z (204) 0.84% 0.118% 2314 1.3 289 118726 4238644 4141085 1-1 15: 193 119 105 163 120 194 91 176 171 247 515 325 248 158 164 0.974 30.36 9.0 87 89 93 91 529 11.8 0.167 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2261 3053.2 6.5 scans 50% 57 m/z 0.59% 0.136% 2389 2.0 251 168296 4881573 4506067 1-3 19: 57 71 85 99 55 393 56 69 97 113 70 127 392 394 141 112 276 323 422 0.980 31.21 1.7 88 85 95 93 393 35.9 2.046 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1048 Hentriacontane 31.6490 3103.4 >11 scans 88% 55 m/z 0.019% 9.59% 2429 0.2 1489 5152945 11.5% 342999939 336451362 411248073 1-0 8: 55 58 126 86 351 182 337 142 1.000 31.53 13.9 98 97 99 99 436 90.3 0.369 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8868 3131.7 4.0 scans 73% 502 m/z (70) 0.13% 0.380% 2452 0.5 483 720705 13621544 12979845 1-1 16: 502 237 503 236 238 504 277 221 239 505 193 235 262 275 261 276 0.971 31.79 11.3 98 99 97 99 502 230.3 22.724 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3351 3184.9 3.1 scans 40% 57 m/z 0.28% 0.166% 2495 1.1 371 350439 5948521 5483457 3-9 18: 57 71 85 99 83 97 56 113 70 127 84 111 141 98 112 58 140 72 0.918 32.33 1.0 84 87 94 91 785 8.4 0.051 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1004 Campesterol 32.8286 3243.5 3.8 scans 90% 129 m/z 0.11% 1.47% 2542 0.5 1000 856056 52822732 52494955 2-0 20: 129 343 382 73 367 472 95 75 121 107 145 119 81 105 383 344 57 71 342 55 0.996 32.21 73.4 84 95 97 99 472 142.5 2.030 0.619 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1046 Stigmasterol 33.0032 3264.3 3.1 scans 82% 83 m/z 0.17% 0.739% 2558 0.8 789 562170 26454393 25479176 1-0 19: 83 129 55 255 69 394 484 81 75 133 159 119 145 105 107 97 95 93 351 0.985 32.98 2.5 96 94 98 97 665 6.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1326 3279.6 3.7 scans 87% TIC 0.046% 1.21% 2570 0.6 938 2143653 2.11% 43305588 42463489 75455081 2-0 0.992 33.10 4.2 89 86 97 92 515 0.0 0.000 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3578 3306.4 3.4 scans 21% 99 m/z 1.0% 0.0803% 2592 1.0 243 93483 0.197% 2875024 2660309 7044858 7-1 12: 99 189 437 199 529 438 287 530 439 200 451 297 0.795 33.38 -2.5 90 90 72 94 529 46.3 3.639 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN WTF2-N1034 b-Sitosterol 33.5230 3326.0 4.0 scans 89% 129 m/z 0.087% 2.16% 2608 0.4 1157 1137278 77294771 75787962 2-1 20: 129 357 396 381 73 486 95 121 119 75 107 145 358 397 81 57 356 105 159 255 1.000 32.88 76.7 85 97 98 99 486 166.3 2.065 0.646 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6124 3336.6 3.4 scans 35% 386 m/z 2.2% 0.0935% 2616 1.1 262 43925 0.131% 3345436 3094526 4684652 0-5 6: 386 296 387 257 371 255 0.900 33.58 3.3 86 87 88 92 505 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9018 3371.0 3.7 scans 20% 441 m/z 0.83% 0.0391% 2644 1.2 162 120481 1399240 1299436 1-1 7: 441 442 308 646 443 647 427 0.958 33.80 12.6 95 95 85 95 646 26.9 2.753 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2332 3410.4 3.7 scans 63% 99 m/z 0.20% 0.337% 2675 0.9 482 487027 12053017 11337932 3-2 14: 99 217 499 71 169 361 500 510 218 362 100 383 271 257 0.988 34.22 1.7 86 84 89 88 499 112.7 5.480 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5962 3453.5 4.1 scans 45% 596 m/z 0.30% 0.164% 2710 1.0 317 331868 5866681 5633156 1-1 16: 596 597 598 331 316 302 599 318 356 315 332 303 317 330 300 342 0.931 34.47 14.8 96 94 85 99 596 156.3 24.238 0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN EXBLK5S-N1006 Contamination 6.3635 1047.8 2.1 scans 62% 207 m/z 0.73% 0.0217% 26 1.3 159 135831 0.0230% 795597 787693 840329 2-0 15: 207 295 208 209 296 191 297 279 193 189 210 177 119 247 192 0.938 6.63 -15.5 97 96 89 96 295 50.5 10.130 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.9528 1082.7 >15 scans 19% 117 m/z (69 131) 12% 0.0116% 82 0.2 47 7851 0.0213% 427393 403626 778217 0-6 3: 117 190 191 0.937 6.82 7.8 80 85 81 91 295 0.0 0.000 0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1192 Contamination 8.0544 1148.0 2.9 scans 88% TIC 0.31% 0.120% 187 0.8 316 316474 0.270% 4409283 4215953 9864729 1-1 0.995 7.99 3.8 97 97 97 97 235 63.5 4.030 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1188 Contamination 8.3143 1163.4 2.4 scans 64% 281 m/z 2.1% 0.0183% 212 1.0 134 46738 668760 668760 0-0 17: 281 147 369 282 152 283 370 265 207 371 148 249 149 171 87 153 193 0.913 8.41 -6.0 92 89 59 98 369 34.2 6.501 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1186 Phosphate 8.5837 1179.4 2.7 scans 82% TIC 1.1% 0.0178% 237 1.8 121 88897 0.0266% 651144 598635 971858 4-0 0.991 8.56 1.4 98 97 90 97 299 0.0 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1180 Benzoic acid 9.7263 1246.5 3.2 scans 44% 179 m/z 5.9% 0.00442% 346 1.2 56 16738 0.00547% 161795 159927 199852 2-0 6: 179 105 135 77 180 194 0.959 9.76 -2.0 94 94 84 95 194 8.5 2.276 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN VEN77_S6-N1002 Glycerol 10.0893 1267.8 5.0 scans 96% 299 m/z (158) 0.012% 3.65% 380 0.3 1307 7982762 133703683 126944921 1-1 20: 299 73 300 314 133 147 283 207 315 211 193 191 205 135 225 103 117 75 131 115 1.000 10.09 -0.2 96 96 92 99 299 729.3 31.300 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7059 1304.0 2.9 scans 62% 199 m/z 1.2% 0.0399% 439 0.8 176 77403 1461167 1276673 2-1 17: 199 75 117 145 132 129 200 131 118 74 61 76 201 133 155 101 119 0.910 10.73 -1.6 96 95 88 99 209 0.0 0.000 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0342 1323.7 2.6 scans 28% 184 m/z 8.9% 0.00376% 470 1.0 58 11132 137494 137494 0-0 7: 184 134 285 174 86 100 185 0.629 11.06 -1.8 83 84 59 89 285 18.3 9.933 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4067 1346.2 4.1 scans 86% TIC 0.55% 0.0855% 506 0.5 207 181310 0.113% 3124277 2876000 4128572 1-0 0.981 11.45 -2.3 97 96 95 98 145 60.6 8.612 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1146 Malic acid 13.4774 1474.1 2.6 scans 89% 73 m/z (231) 0.53% 0.0663% 702 1.0 236 186493 2425570 2365393 2-0 20: 73 147 233 245 189 133 177 190 148 191 74 75 149 335 175 101 234 55 265 246 0.998 13.62 -8.7 93 94 89 94 350 0.0 0.000 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN TAB_REP6-N1026 Malic acid 13.4774 1474.1 2.6 scans 86% 73 m/z 0.53% 0.0616% 702 1.0 231 187755 2251976 2196106 2-0 20: 73 147 233 245 189 133 177 190 148 191 74 75 149 335 175 101 234 55 265 246 0.980 13.53 -3.5 96 95 91 96 335 27.4 1.408 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2845 1526.2 2.7 scans 61% 263 m/z 0.72% 0.0302% 779 1.1 162 138566 1103594 1054358 1-1 15: 263 264 278 239 447 265 342 279 448 175 174 335 240 449 247 0.961 14.33 -2.8 80 73 78 95 278 38.3 5.559 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6874 1552.9 >3 scans 66% TIC 2.2% 0.00758% 817 1.5 88 44150 0.118% 277170 277170 4311252 0-0 0.992 14.16 34.6 87 89 83 92 250 17.1 3.820 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1044 Dodecanol 14.7348 1556.1 2.6 scans 68% 243 m/z 1.4% 0.0186% 822 0.9 130 69773 681041 676009 2-0 11: 243 244 103 89 97 61 245 101 76 111 115 0.960 14.24 32.7 92 94 91 97 243 68.2 27.633 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1984 1655.7 2.8 scans 64% 290 m/z (156) 1.1% 0.0264% 961 1.8 139 86448 968114 946573 0-2 6: 290 291 292 392 144 115 0.986 16.28 -5.4 86 84 76 98 392 16.6 1.424 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5488 1680.0 3.1 scans 66% TIC 2.1% 0.0122% 994 1.1 121 45926 0.0926% 448361 448361 3383237 0-0 0.983 16.63 -5.4 91 91 90 90 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1010 Glycerol-P 17.4747 1746.5 2.7 scans 94% TIC 0.10% 0.623% 1082 0.9 724 933232 22779661 22219528 3-0 0.982 16.97 37.0 96 99 98 100 445 111.7 2.378 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN TAB_REP6-N1048 Citric acid 18.2460 1803.0 2.8 scans 38% 273 m/z 3.3% 0.0105% 1156 1.1 93 30026 385834 374709 4-0 16: 273 363 274 347 375 465 275 364 148 376 211 257 348 183 377 365 0.767 18.24 0.2 92 93 66 95 465 14.9 2.581 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4354 1817.4 4.0 scans 88% 73 m/z 0.030% 2.55% 1174 0.5 1223 3235886 93471010 89625501 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 66 133 77 90 213 121 0.936 17.91 39.2 94 99 93 99 327 120.6 0.973 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1012 Phytol 18.5753 1828.1 3.2 scans 97% 68 m/z 0.054% 1.85% 1187 0.6 1148 1845497 1.98% 67864609 66359015 72341343 2-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 70 110 1.000 18.04 40.0 94 98 99 99 278 67.3 0.344 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1016 Hexadecene 18.6332 1832.5 2.9 scans 88% TIC 0.30% 0.189% 1192 1.5 380 330976 4.54% 6930744 6636905 165873585 0-3 0.995 18.10 40.1 81 81 93 97 280 55.4 2.120 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6584 1834.4 2.6 scans 53% 285 m/z (70) 1.4% 0.0326% 1195 1.0 163 69210 1191633 1049890 9-4 15: 285 117 132 129 286 145 118 287 300 201 241 116 61 130 146 0.940 18.73 -5.3 94 96 83 95 300 16.9 1.085 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1002 Phytol 18.8min 18.8636 1850.1 2.7 scans 95% 81 m/z 0.29% 0.311% 1214 1.0 512 335664 0.315% 11363197 11188014 11508850 0-7 20: 81 82 95 68 57 123 55 69 83 67 79 71 97 96 124 109 264 111 53 56 0.999 18.84 1.8 97 96 99 97 278 57.9 1.279 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9531 1856.9 2.8 scans 62% 73 m/z (69) 1.5% 0.0279% 1223 1.0 143 65036 0.0452% 1021693 882639 1651429 2-2 20: 73 103 307 217 147 308 277 364 104 133 309 189 205 117 74 89 131 148 172 191 0.978 18.40 41.9 87 93 90 96 364 13.8 0.930 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1018 Fructose 18.9531 1856.9 3.2 scans 65% TIC 1.4% 0.0272% 1223 1.4 146 71249 0.238% 995382 946458 8695576 0-1 0.984 18.52 32.6 89 91 89 94 364 13.2 0.815 0.428 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN BRA4_R~2-N1004 Galactose 19.2719 1881.2 2.7 scans 56% 319 m/z 1.6% 0.0239% 1253 1.0 143 61120 0.0371% 876822 827470 1355487 2-2 9: 319 205 160 320 321 206 207 189 291 0.980 19.36 -6.9 93 93 88 94 364 8.5 0.349 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9263 1932.8 3.0 scans 78% 204 m/z (71) 0.44% 0.0773% 1315 1.1 236 226149 2827739 2540260 3-2 15: 204 217 159 205 147 206 129 218 103 191 160 219 305 203 243 0.989 19.91 1.1 94 94 95 98 361 11.2 0.226 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8060 2003.7 2.9 scans 94% 75 m/z 0.12% 0.814% 1399 0.7 819 780604 1.03% 29762507 28449437 37632113 0-1 20: 75 73 79 67 93 95 91 129 108 80 55 81 117 94 307 121 77 107 135 145 0.998 20.27 43.5 82 83 94 98 322 57.3 0.489 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1038 C16:0 21.1700 2034.3 3.7 scans 97% 313 m/z 0.027% 2.83% 1434 0.4 1317 3588343 103566206 102039483 0-1 20: 313 117 73 132 75 129 145 314 55 328 131 118 133 57 315 201 69 269 74 285 1.000 20.62 46.0 94 99 99 100 328 151.4 1.323 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6751 2076.7 2.9 scans 48% 305 m/z 2.4% 0.0218% 1482 1.0 130 40651 798682 773629 2-1 15: 305 217 318 191 306 265 319 307 320 432 291 367 266 434 393 0.902 21.75 -6.2 92 93 77 92 507 9.1 0.484 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN FAME-N1014 C18:0-methyl ester 22.0991 2112.8 3.0 scans 33% 74 m/z 3.3% 0.00987% 1522 1.0 89 29971 360772 358143 0-1 6: 74 87 298 255 267 199 0.735 22.28 -15.5 86 89 76 88 298 18.8 4.434 -0.177 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1907 2120.8 3.3 scans 30% 396 m/z 4.7% 0.00973% 1531 1.1 84 20970 0.0110% 355527 355527 401896 0-0 9: 396 219 397 381 398 220 307 249 382 0.892 22.19 0.3 90 91 75 92 396 37.4 19.794 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2917 2129.7 3.2 scans 27% 327 m/z 3.2% 0.0196% 1540 1.0 116 31091 0.0204% 718211 650910 745335 6-1 6: 327 132 328 342 329 283 0.762 22.33 -3.3 93 94 70 96 342 14.8 1.611 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4085 2139.9 2.8 scans 18% 204 m/z 4.1% 0.00513% 1551 1.2 61 24052 187776 141990 3-4 4: 204 249 205 206 0.733 22.71 -26.6 80 87 74 86 518 0.0 0.000 -0.306 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1040 Phytol 22.6368 2159.8 3.7 scans 94% TIC 0.039% 0.688% 1573 1.0 674 2547399 0.714% 25164047 24262253 26086727 1-6 0.999 22.08 48.3 80 82 89 97 181 10.5 0.025 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1042 C18:2 23.1250 2202.6 >8 scans 73% TIC 0.065% 3.36% 1619 0.3 1030 1520966 8.21% 122915854 119275407 299960822 5-0 0.997 22.53 51.8 84 89 88 95 352 67.1 0.424 0.591 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2124 2210.5 6.2 scans 94% 79 m/z 0.036% 6.49% 1628 0.2 1631 2737413 9.37% 237308702 222451935 342342619 0-8 20: 79 75 73 95 93 108 67 91 80 81 107 335 129 121 55 94 149 135 77 117 0.998 23.12 8.7 97 97 99 96 350 116.5 0.511 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1036 C18:0 23.4259 2230.1 2.7 scans 92% 341 m/z 0.069% 0.833% 1648 0.7 862 1442286 30470617 29530627 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 201 343 74 297 83 0.999 22.89 48.3 93 99 98 99 356 110.9 1.658 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7258 2257.5 3.0 scans 11% 163 m/z 2.1% 0.00880% 1676 1.0 82 46899 0.0166% 321818 305216 606498 3-0 6: 163 331 164 165 88 332 0.591 23.72 0.6 83 86 55 89 331 22.3 7.391 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1572 2296.9 3.4 scans 38% 204 m/z (333) 0.89% 0.0319% 1717 0.9 146 111970 0.0450% 1165595 1159207 1644121 0-2 17: 204 217 205 337 147 103 206 219 338 218 361 339 203 101 291 189 243 0.962 24.01 13.4 87 89 84 90 490 0.0 0.000 0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1572 2296.9 3.4 scans 41% 204 m/z (333 98) 0.89% 0.0340% 1717 0.9 151 111454 0.0481% 1245602 1238775 1757383 0-2 17: 204 217 205 337 147 103 206 219 338 218 361 339 203 101 291 189 243 0.953 24.18 -2.2 87 91 84 91 581 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1018 myo-Inositol 25.2262 2398.4 3.3 scans 73% TIC 0.54% 0.135% 1819 1.0 311 182627 0.267% 4941195 4830824 9755121 1-1 0.974 25.21 1.6 97 96 94 99 470 21.1 0.459 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6356 2438.9 3.2 scans 60% 91 m/z 0.38% 0.0589% 1858 1.3 208 258955 0.0865% 2154370 2030225 3160367 4-4 19: 91 117 194 207 92 208 115 65 193 312 103 104 118 51 178 102 116 195 128 0.967 25.61 2.6 98 98 97 98 312 24.8 1.416 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3132 2506.2 3.1 scans 47% 204 m/z 0.79% 0.0435% 1922 1.0 176 125419 0.140% 1590393 1227782 5115044 19-1 14: 204 217 205 147 219 206 218 189 305 148 220 101 306 221 0.925 25.86 45.5 87 91 89 99 361 8.6 0.237 0.457 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5720 2533.0 2.8 scans 28% 512 m/z (218) 1.7% 0.0356% 1947 1.0 170 55709 1302841 1203588 1-1 20: 512 455 247 513 456 514 483 248 349 263 457 497 423 235 484 409 179 249 515 261 0.962 26.57 -0.1 93 95 80 95 512 60.9 12.777 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9498 2572.0 2.7 scans 92% 371 m/z 0.031% 1.22% 1983 0.7 1019 3170051 44606887 42552825 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 145 75 117 101 85 1.000 26.39 57.4 90 97 97 100 459 129.4 1.619 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1018 Sucrose 27.4338 2622.7 3.0 scans 14% 361 m/z 1.3% 0.0231% 2029 1.0 138 71986 845849 759223 1-12 10: 361 362 437 363 451 438 439 364 452 345 0.771 27.47 -3.8 95 96 79 96 437 28.8 4.375 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN LQC1-N1008 Sucrose 27.4338 2622.7 3.0 scans 14% 361 m/z (397) 1.3% 0.0252% 2029 1.0 137 71904 923777 829170 1-12 10: 361 362 437 363 451 438 439 364 452 345 0.745 27.59 -16.8 92 95 76 95 437 28.7 4.385 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7469 2766.2 3.4 scans 90% 399 m/z 0.066% 0.751% 2154 1.0 723 1498311 27459716 25360475 1-2 20: 399 400 73 147 129 57 205 203 487 103 55 401 71 116 145 75 117 101 85 267 1.000 28.19 62.3 88 97 97 100 487 92.0 1.621 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN SQUALENE-N1017 Squalene STD 29.1036 2806.4 3.5 scans 79% 69 m/z 0.14% 0.262% 2188 1.3 407 678651 0.267% 9590080 8692969 9755121 1-16 19: 69 81 137 95 136 68 121 93 67 123 149 109 107 82 135 70 94 79 53 0.994 29.09 1.3 95 95 98 95 410 19.7 0.236 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8580 2891.2 5.0 scans 66% 57 m/z 0.42% 0.152% 2259 1.8 274 236613 5584887 5174300 6-2 20: 57 71 85 55 99 83 69 97 56 113 70 84 141 111 58 140 126 82 72 408 0.994 29.83 3.5 99 98 99 100 408 16.8 0.375 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1038 Hexacosanol 30.2463 2936.9 4.9 scans 93% 439 m/z 0.015% 3.33% 2296 0.3 1285 6425190 4.05% 121677120 117043249 147970929 0-1 20: 439 440 75 103 57 441 73 97 83 69 55 71 91 89 85 111 61 101 99 442 0.999 30.17 8.8 99 97 95 100 439 654.3 26.093 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4483 2960.8 3.2 scans 63% 193 m/z (204) 0.50% 0.183% 2315 1.3 355 199713 6689947 6438082 1-2 11: 193 119 105 163 120 176 194 171 247 515 325 0.973 30.36 10.7 90 92 95 93 529 15.0 0.179 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2417 3055.1 6.7 scans 42% 57 m/z (425) 0.81% 0.124% 2391 1.7 206 122350 4566453 4289650 1-4 14: 57 71 85 55 99 56 393 69 83 275 70 113 127 394 0.967 31.21 3.6 81 80 93 91 393 30.1 2.127 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1048 Hentriacontane 31.6825 3107.4 12.6 scans 97% 57 m/z 0.016% 12.1% 2433 0.1 1584 5911793 444086467 437247569 2-0 20: 57 71 85 99 55 69 113 83 97 56 70 127 141 84 111 155 98 112 169 82 0.998 31.53 17.9 99 98 99 99 436 87.9 0.308 0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.9024 3133.5 4.3 scans 73% 502 m/z (467) 0.10% 0.499% 2454 0.4 516 987014 18247475 18117574 1-0 15: 502 237 503 236 504 238 277 221 505 239 193 275 235 261 487 0.995 31.79 13.1 98 99 96 99 502 256.5 24.725 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3465 3186.3 3.2 scans 30% 57 m/z 0.27% 0.165% 2496 1.0 352 365413 0.202% 6059988 5384678 7380278 6-4 15: 57 71 85 99 97 56 113 70 127 84 141 98 58 112 126 0.981 32.33 2.4 80 82 96 84 785 3.8 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1004 Campesterol 32.8357 3244.4 3.7 scans 87% 129 m/z 0.13% 1.21% 2542 0.6 888 739030 44430759 44197490 1-0 20: 129 343 382 472 73 367 95 75 107 121 344 81 145 105 383 119 342 71 57 55 0.995 32.21 74.3 83 95 97 98 472 130.5 2.159 0.626 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1046 Stigmasterol 33.0178 3266.0 3.5 scans 82% 83 m/z (309) 0.19% 0.819% 2560 0.7 726 524031 29928014 28929702 1-1 20: 83 129 55 255 69 484 81 394 159 75 133 119 105 145 93 107 95 351 97 355 0.997 32.98 4.2 94 95 98 97 665 4.9 0.000 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1356 3280.0 3.2 scans 83% 57 m/z 0.061% 0.823% 2571 0.6 775 1635296 30078050 28592738 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 82 125 0.994 33.10 4.6 89 86 97 93 515 0.0 0.000 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN WTF2-N1034 b-Sitosterol 33.5344 3327.4 4.2 scans 88% 129 m/z 0.095% 1.91% 2609 0.4 1055 1048640 2.09% 70082885 68117111 76360307 4-3 20: 129 357 396 73 486 381 95 107 121 75 145 119 358 57 81 105 397 356 159 93 0.999 32.88 78.1 84 97 98 99 486 152.2 2.082 0.657 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9142 3372.5 3.7 scans 25% 441 m/z 0.65% 0.0457% 2645 1.1 175 152024 1672552 1585884 1-1 10: 441 57 442 308 646 647 237 427 329 425 0.951 33.80 14.1 96 96 88 96 646 28.5 2.642 0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6097 3455.1 3.7 scans 33% 596 m/z 0.26% 0.160% 2711 0.9 318 382292 5846708 5645265 1-1 16: 596 597 598 331 316 302 599 315 318 356 303 332 300 370 342 330 0.955 34.47 16.4 97 95 88 99 596 159.6 25.242 0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN EXBLK5S-N1006 Contamination 6.3733 1048.4 2.1 scans 65% 207 m/z 0.63% 0.0210% 27 1.3 169 156995 896404 896404 0-0 18: 207 73 295 208 209 296 191 297 279 74 193 189 210 177 247 192 119 265 0.959 6.63 -14.9 98 97 94 98 295 54.2 10.217 -0.252 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1192 Contamination 8.0789 1149.5 2.6 scans 93% 73 m/z (96) 0.18% 0.224% 189 0.9 412 552361 0.230% 9557684 7724176 9813166 25-3 20: 73 147 133 220 235 148 59 146 72 86 89 74 160 149 103 100 75 131 134 221 0.993 7.99 5.3 97 98 97 99 235 83.0 4.063 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1188 Contamination 8.3146 1163.5 2.3 scans 58% 281 m/z 2.4% 0.00965% 212 1.1 105 40547 411845 386527 1-4 13: 281 147 369 282 370 283 265 207 371 148 249 149 191 0.988 8.41 -5.9 95 95 78 97 369 31.5 9.032 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1186 Phosphate 8.6008 1180.4 2.3 scans 95% 241 m/z 0.10% 0.126% 239 1.1 389 915257 5415597 5415597 0-0 19: 241 242 133 211 73 163 256 243 135 195 98 59 89 119 137 257 121 212 134 0.999 8.56 2.4 100 99 99 100 299 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN VEN77_S6-N1002 Glycerol 10.0949 1268.1 5.4 scans 99% 301 m/z 0.011% 3.63% 381 0.3 1331 8700541 154955212 150345496 1-1 20: 301 147 316 205 302 74 75 103 117 134 195 285 194 148 218 206 149 167 226 89 0.997 10.09 0.1 98 97 93 99 299 746.4 31.624 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7104 1304.2 3.4 scans 64% 199 m/z 1.4% 0.0423% 440 0.6 167 70225 1805873 1605863 8-1 17: 199 75 117 73 145 132 200 129 131 118 61 76 74 81 146 155 119 0.919 10.73 -1.4 96 95 91 99 209 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0418 1324.2 3.4 scans 61% TIC 3.4% 0.0115% 471 0.8 97 29411 0.0239% 491171 440161 1019716 0-2 0.837 11.06 -1.3 96 95 88 97 285 29.9 9.492 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4049 1346.0 5.8 scans 87% 57 m/z 0.68% 0.0692% 506 0.5 182 146608 0.0752% 2954384 2888950 3208479 3-0 17: 57 115 97 145 127 69 129 59 109 128 58 87 72 116 201 130 110 0.993 11.45 -2.5 99 98 97 99 145 53.4 8.640 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN TAB_REP6-N1026 Malic acid 13.4724 1473.8 2.5 scans 64% 73 m/z 1.9% 0.0139% 702 0.8 125 52169 594437 562535 2-0 20: 73 147 233 177 245 189 148 133 190 335 101 175 149 74 55 191 135 234 265 178 0.849 13.53 -3.8 82 81 78 83 335 14.7 1.376 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1044 Dodecanol 14.7298 1555.8 2.8 scans 70% 243 m/z 1.1% 0.0212% 821 1.0 140 90217 906471 904524 1-0 16: 243 75 244 103 89 97 83 245 61 101 111 76 115 104 98 58 0.940 14.24 32.4 94 96 92 98 243 76.0 29.398 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1924 1655.2 2.9 scans 40% 290 m/z (195) 1.1% 0.0138% 960 2.0 101 83841 589671 560430 1-1 6: 290 291 292 392 144 393 0.979 16.28 -5.9 94 96 81 96 392 16.2 2.580 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5459 1679.8 2.8 scans 80% 55 m/z 0.78% 0.0427% 994 1.4 201 127465 0.0650% 1822058 1687485 2773286 1-5 18: 55 69 83 97 56 70 84 111 82 127 98 68 113 96 140 125 54 67 0.979 16.63 -5.6 96 95 94 95 210 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1010 Glycerol-P 17.4813 1747.0 2.7 scans 98% 357 m/z 0.037% 1.47% 1083 0.7 1194 2698660 63133551 62783388 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 301 133 387 129 256 218 328 1.000 16.97 37.5 96 99 99 99 445 188.3 2.490 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5549 1752.4 6.1 scans 69% TIC 1.0% 0.0224% 1090 1.7 161 93463 1.18% 959316 959316 50345808 0-0 0.997 17.63 -5.6 85 83 77 86 450 21.6 1.783 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN TAB_REP6-N1048 Citric acid 18.2410 1802.6 2.7 scans 37% 273 m/z (217 217) 5.3% 0.00634% 1155 1.2 81 18719 270885 270885 0-0 8: 273 363 347 375 274 465 275 211 0.954 18.24 -0.2 85 90 79 91 465 11.4 2.001 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4314 1817.1 4.3 scans 94% 73 m/z (310) 0.027% 2.67% 1173 0.4 1264 3579331 114137859 111689236 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 213 133 90 121 117 137 150 0.999 17.91 38.9 93 99 98 99 327 125.7 0.991 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1012 Phytol 18.5651 1827.3 3.0 scans 97% 68 m/z 0.070% 1.10% 1186 0.6 984 1417936 1.21% 47281252 46472051 51625786 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 39.2 94 98 99 99 278 57.1 0.336 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1016 Hexadecene 18.6271 1832.0 2.6 scans 87% 70 m/z 0.29% 0.138% 1192 1.1 370 337303 0.958% 5889680 5622798 40873969 0-1 20: 70 69 55 57 71 83 56 111 125 97 126 280 84 85 140 67 112 68 82 98 0.995 18.10 39.6 81 80 92 97 280 55.4 2.240 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6545 1834.1 2.8 scans 59% 285 m/z (70) 0.79% 0.0596% 1194 1.0 222 126423 2543843 2293152 10-1 19: 285 117 73 75 132 129 286 145 118 131 300 201 287 74 241 116 130 76 257 0.950 18.73 -5.6 94 95 84 97 300 21.5 0.938 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1076 Pregnane?? 18.7723 1843.1 2.5 scans 54% 345 m/z 1.8% 0.0173% 1206 0.9 133 55134 741934 741934 1-0 10: 345 255 346 347 334 256 372 239 257 419 0.805 18.86 -6.6 82 82 69 82 537 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8576 1849.6 2.7 scans 93% TIC 0.42% 0.170% 1214 0.9 413 237909 0.192% 7275795 7145783 8191860 1-1 0.997 18.58 21.2 96 94 98 99 278 46.8 1.280 0.279 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1018 Fructose 18.9460 1856.4 2.9 scans 55% 73 m/z 2.0% 0.0139% 1222 0.8 117 48821 0.0255% 594197 554147 1087981 0-1 20: 73 103 307 217 147 308 277 218 309 104 133 189 205 74 364 89 172 117 148 191 0.971 18.52 32.1 89 92 91 92 364 11.8 1.012 0.421 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1002 Phytol 18.8min 19.1027 1868.3 2.9 scans 94% 81 m/z (307) 0.19% 0.382% 1237 0.9 592 501999 16318754 15975954 1-1 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.84 20.0 91 92 98 93 278 78.8 1.773 0.263 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN BRA4_R~2-N1004 Galactose 19.2679 1880.9 2.7 scans 29% 319 m/z 5.9% 0.00501% 1253 1.1 71 16793 214090 214090 0-0 3: 319 160 321 0.957 19.36 -7.2 86 87 76 87 364 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1068 Galactopyranose 19.3426 1886.6 2.8 scans 55% 204 m/z 1.4% 0.0243% 1260 1.2 150 67978 0.0416% 1040655 948358 1774903 2-4 11: 204 191 205 192 206 193 218 189 219 243 228 0.951 19.32 2.1 81 78 75 86 435 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9203 1932.3 2.8 scans 86% TIC 0.25% 0.125% 1315 1.2 297 389848 0.150% 5347198 3771481 6399891 0-4 0.998 19.91 0.6 96 94 95 99 361 14.5 0.239 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7957 2002.8 2.8 scans 92% 73 m/z 0.20% 0.421% 1398 0.8 636 499285 0.520% 17975141 16690977 22186288 0-1 20: 73 75 79 67 93 95 91 129 108 80 55 81 94 117 307 77 121 135 107 145 1.000 20.27 42.6 82 82 94 98 322 43.8 0.474 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1038 C16:0 21.1640 2033.8 3.7 scans 97% 313 m/z 0.025% 2.52% 1433 0.5 1353 3877840 107763152 106994193 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 74 201 315 116 269 1.000 20.62 45.5 94 99 99 100 328 154.8 1.310 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6669 2076.0 2.8 scans 49% 305 m/z 2.2% 0.0229% 1481 0.9 146 45432 980807 900749 3-3 17: 305 217 318 147 191 306 265 319 307 218 432 367 320 192 291 433 221 0.925 21.75 -6.9 84 84 73 85 507 9.9 0.457 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1846 2120.3 3.1 scans 14% 396 m/z 9.5% 0.00331% 1530 1.3 53 10471 0.00488% 141272 134710 208210 1-0 7: 396 219 397 381 104 220 398 0.793 22.19 -0.2 82 84 63 86 396 25.9 23.700 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2804 2128.7 6.7 scans 64% TIC 1.1% 0.0578% 1539 1.1 211 89563 0.123% 2467132 2346492 5247910 0-2 0.991 22.33 -4.3 95 94 93 96 342 20.7 0.963 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4024 2139.3 3.2 scans 23% 204 m/z 3.7% 0.00613% 1551 1.1 69 26385 261928 227424 1-4 5: 204 249 205 218 206 0.801 22.71 -27.2 81 84 71 87 518 0.0 0.000 -0.312 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1040 Phytol 22.6265 2158.9 3.0 scans 93% 143 m/z 0.041% 0.478% 1572 1.0 643 2426470 20419522 19577977 4-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 97 83 82 74 67 96 0.998 22.08 47.4 80 82 90 97 181 9.8 0.023 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1042 C18:2 23.0969 2200.0 >8 scans 72% 81 m/z 0.10% 1.82% 1617 0.7 791 988824 4.82% 78067204 74756017 205649825 3-0 17: 81 67 117 55 109 137 221 215 76 118 174 186 84 233 70 172 85 0.969 22.53 49.2 84 90 86 95 352 52.3 0.437 0.563 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1937 2208.8 6.0 scans 94% TIC 0.038% 5.03% 1626 0.3 1545 2599469 7.52% 214930219 210802309 320847861 0-2 0.998 23.12 7.0 98 97 99 97 350 111.7 0.523 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1036 C18:0 23.4178 2229.3 2.8 scans 90% 341 m/z 0.088% 0.584% 1647 0.9 747 1123698 24927079 24170900 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 74 201 116 297 0.999 22.89 47.5 93 99 98 99 356 97.5 1.705 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7219 2257.1 2.7 scans 21% 163 m/z (95) 1.2% 0.0181% 1676 1.0 128 82806 0.0183% 776474 715722 780787 3-2 6: 163 331 165 88 332 90 0.895 23.72 0.2 85 87 76 92 331 28.4 4.901 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1533 2296.6 3.3 scans 42% 204 m/z 0.68% 0.0352% 1717 0.8 175 146124 0.0476% 1505776 1441750 2030899 1-6 17: 204 205 217 337 147 206 103 219 338 218 191 339 203 101 271 243 221 0.736 24.18 -2.5 91 91 85 92 581 0.0 0.000 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1018 myo-Inositol 25.2202 2397.8 3.4 scans 72% TIC 0.54% 0.108% 1818 1.1 301 182931 0.220% 4637313 4341933 9386507 3-0 0.972 25.21 1.0 97 95 95 100 470 20.8 0.479 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6337 2438.7 3.4 scans 55% 91 m/z 0.47% 0.0430% 1858 1.2 183 211073 0.0577% 1836102 1705068 2461825 5-4 16: 91 117 194 207 208 115 92 193 65 104 118 51 178 63 128 102 0.972 25.61 2.4 98 98 96 98 312 21.8 1.421 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3113 2506.0 3.2 scans 43% 204 m/z 0.52% 0.0718% 1922 1.4 218 191801 0.205% 3066324 1999315 8746517 22-0 8: 204 217 205 219 206 218 305 220 0.929 25.86 45.3 82 84 87 98 361 16.6 0.582 0.455 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5670 2532.4 3.0 scans 24% 512 m/z 1.7% 0.0305% 1946 1.0 160 58141 1305104 1293639 0-2 19: 512 455 247 513 456 514 483 248 349 263 457 484 497 423 235 309 261 234 485 0.909 26.57 -0.7 93 94 75 94 512 61.0 14.594 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9427 2571.2 3.2 scans 87% 371 m/z 0.040% 1.00% 1982 1.1 883 2492342 43011270 39292890 1-13 19: 371 372 147 57 129 205 203 239 373 459 55 71 103 116 145 75 117 101 85 1.000 26.39 56.6 90 97 97 100 459 111.1 1.590 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1010 Sucrose 27.4298 2622.3 3.2 scans 39% 361 m/z 0.43% 0.104% 2028 1.2 276 231165 4445666 3749041 1-20 10: 361 362 437 363 271 451 438 364 439 452 0.907 27.58 -15.9 97 97 89 98 437 51.5 3.493 -0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN LQC1-N1008 Sucrose 27.4361 2623.0 5.5 scans 38% TIC 0.44% 0.0932% 2029 2.3 288 222343 0.293% 3978123 3512031 12501120 4-0 0.742 27.59 -16.5 96 96 86 98 437 49.4 2.951 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7482 2766.4 3.9 scans 85% 399 m/z 0.086% 0.571% 2154 1.3 615 1150719 24374497 22171881 1-3 20: 399 400 73 147 57 129 205 203 487 55 103 401 71 116 117 145 75 267 101 85 0.997 28.19 62.5 89 98 98 100 487 78.8 1.641 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN SQUALENE-N1017 Squalene STD 29.1228 2808.5 3.8 scans 93% 69 m/z (204) 0.023% 1.82% 2189 0.9 1057 4198217 78009899 73451844 1-3 20: 69 81 95 137 136 121 68 93 123 67 149 109 107 135 82 70 55 94 79 53 0.999 29.09 3.4 98 98 99 99 410 53.8 0.260 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8583 2891.3 6.7 scans 49% 57 m/z 0.52% 0.119% 2259 2.2 239 189700 0.132% 5083131 4921373 5631904 0-1 18: 57 71 85 55 99 56 83 97 70 113 111 84 98 141 126 72 140 168 0.945 29.83 3.6 89 88 98 98 408 11.9 0.247 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1038 Hexacosanol 30.2507 2937.4 5.6 scans 90% 439 m/z 0.015% 3.34% 2297 0.4 1272 6621336 3.91% 142820917 138264823 166823821 0-1 20: 439 440 75 103 57 73 97 83 55 71 69 91 89 85 111 101 61 99 77 125 0.996 30.17 9.3 99 97 95 100 439 651.1 26.288 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1048 Hentriacontane 31.6965 3109.1 14.5 scans 98% 239 m/z 0.017% 11.4% 2434 0.3 1534 5629760 487562711 486240394 5-0 11: 239 345 252 346 307 255 198 347 372 256 325 0.994 31.53 19.6 99 98 99 99 436 86.2 0.316 0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.9374 3137.7 5.5 scans 80% 502 m/z 0.020% 2.49% 2457 0.3 1105 4810810 106476194 105973995 1-0 16: 502 237 503 73 236 238 504 277 221 223 208 74 239 505 193 207 0.923 31.79 17.3 100 99 87 99 502 555.0 25.266 0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1004 Campesterol 32.8423 3245.2 3.5 scans 85% 343 m/z 0.12% 1.04% 2543 0.5 892 779122 44685418 43347497 0-1 19: 343 129 382 472 367 95 75 121 107 344 119 145 81 383 105 342 159 93 71 0.996 32.21 75.1 83 96 97 99 472 132.1 2.196 0.632 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1046 Stigmasterol 33.0191 3266.2 3.4 scans 79% 83 m/z 0.21% 0.575% 2560 0.7 686 473948 24543874 23360190 1-1 20: 83 129 55 255 69 484 394 81 159 75 133 119 105 145 107 93 351 95 97 355 0.996 32.98 4.4 96 95 98 97 665 4.1 0.000 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1443 3281.0 3.7 scans 85% 57 m/z 0.045% 1.13% 2572 0.5 892 2176933 48325187 47048314 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 98 155 112 125 169 0.995 33.10 5.6 89 87 97 93 515 0.0 0.000 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN WTF2-N1034 b-Sitosterol 33.5252 3326.3 4.3 scans 83% TIC 0.12% 1.12% 2608 0.5 900 811509 1.92% 48205896 47542209 81918603 0-1 0.993 32.88 77.0 84 97 97 99 486 130.6 2.107 0.648 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6262 3338.3 3.9 scans 19% 386 m/z 2.7% 0.0595% 2617 1.2 190 36237 0.0883% 2542731 2146465 3767402 0-7 6: 386 296 387 371 372 469 0.885 33.58 5.0 84 85 78 90 505 0.0 0.000 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9135 3372.4 3.8 scans 11% 441 m/z 1.6% 0.0186% 2645 1.1 112 61625 795656 795656 0-1 4: 441 442 308 443 0.828 33.80 14.0 92 94 72 94 646 14.9 0.000 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6111 3455.2 4.0 scans 44% 596 m/z 0.22% 0.164% 2711 0.8 333 451774 7017839 6647331 1-1 16: 596 597 598 331 316 599 315 302 318 356 303 332 317 342 330 341 0.975 34.47 16.5 97 95 88 99 596 170.1 26.150 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN EXBLK5S-N1006 Contamination 6.3521 1047.1 2.1 scans 72% 207 m/z 0.57% 0.0251% 25 1.5 184 173964 0.0256% 1055973 1037033 1074540 0-3 17: 207 73 295 208 209 296 191 297 279 74 189 193 210 177 192 247 263 0.973 6.63 -16.2 97 96 89 97 295 57.0 9.554 -0.273 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1192 Contamination 7.9493 1141.8 2.5 scans 96% 147 m/z 0.090% 0.346% 177 0.9 598 1100514 0.442% 14537710 14013941 18552600 2-2 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 75 149 100 131 134 221 1.000 7.99 -2.4 100 98 99 99 235 122.8 4.223 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1188 Contamination 8.2955 1162.3 2.2 scans 61% 281 m/z 3.1% 0.00804% 210 1.1 99 31672 337503 337503 0-0 9: 281 369 282 283 370 265 249 207 371 0.882 8.41 -7.1 91 89 64 95 369 27.4 7.639 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1186 Phosphate 8.4828 1173.4 2.3 scans 97% 241 m/z 0.088% 0.169% 228 1.0 438 1130890 7119800 6954944 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 134 121 212 181 1.000 8.56 -4.6 100 99 99 100 299 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1180 Benzoic acid 9.6539 1242.3 3.1 scans 33% 179 m/z 7.3% 0.00302% 339 0.7 50 13640 0.00410% 126858 123977 172094 2-1 4: 179 135 105 180 0.948 9.76 -6.2 93 94 85 94 194 9.1 3.273 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN VEN77_S6-N1002 Glycerol 10.0295 1264.3 5.7 scans 96% 299 m/z 0.011% 3.59% 375 0.3 1335 8425023 150887455 148952727 1-0 20: 299 300 73 314 301 147 133 283 207 315 205 211 193 191 316 135 103 302 117 74 1.000 10.09 -3.7 98 96 92 99 299 740.0 30.895 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1174 Proline 10.4262 1287.5 3.2 scans 68% 142 m/z 1.0% 0.0140% 412 0.8 103 95090 590280 555154 7-2 5: 142 143 216 144 66 0.988 10.55 -6.9 94 93 90 94 142 78.6 58.755 -0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6503 1300.6 3.0 scans 51% 199 m/z (69) 1.1% 0.0434% 434 0.9 180 86244 1824638 1514120 12-1 20: 199 75 117 73 145 132 200 129 131 67 79 74 81 118 76 61 72 201 155 116 0.966 10.73 -5.0 96 97 91 99 209 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9881 1321.0 2.7 scans 48% 184 m/z 6.0% 0.00487% 466 0.9 69 16613 204643 204643 1-0 8: 184 134 285 174 185 100 86 286 0.922 11.06 -4.5 93 94 84 94 285 22.7 10.728 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3605 1343.4 3.4 scans 90% 57 m/z 0.45% 0.0671% 501 0.8 225 218688 0.0715% 2818889 2751654 3001156 3-1 19: 57 97 115 145 127 69 55 56 129 59 111 128 109 58 72 87 83 98 146 0.992 11.45 -5.1 99 97 97 99 145 66.2 8.645 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN TAB_REP6-N1026 Malic acid 13.4481 1472.2 2.5 scans 80% 73 m/z 1.1% 0.0242% 700 1.1 157 86666 1018823 963127 3-1 19: 73 147 233 245 189 190 133 191 148 175 335 149 234 74 101 307 246 265 72 0.986 13.53 -5.4 92 91 86 92 335 18.2 1.346 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1044 Dodecanol 14.7107 1554.5 2.7 scans 90% TIC 0.43% 0.0552% 820 0.7 226 231516 0.116% 2317597 2317282 4869008 0-1 0.986 14.24 31.1 97 99 97 99 243 122.7 29.431 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1775 1654.2 3.0 scans 80% 290 m/z (156) 0.33% 0.0679% 959 1.7 228 294476 2852731 2688463 1-2 12: 290 291 292 392 144 131 115 393 293 394 172 160 0.961 16.28 -6.9 95 95 92 99 392 31.0 1.844 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 2.8 scans 92% 55 m/z 0.28% 0.143% 993 1.1 354 355105 0.161% 6009069 5313658 6757847 8-3 20: 55 69 83 73 56 97 70 57 84 111 82 127 113 98 68 71 67 140 112 96 0.999 16.63 -6.6 99 98 98 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1010 Glycerol-P 17.4675 1746.0 2.7 scans 98% 357 m/z 0.038% 1.45% 1082 0.5 1154 2572952 60976891 59877388 0-1 20: 357 299 73 358 315 147 300 370 445 211 359 387 301 101 103 256 133 129 328 218 1.000 16.97 36.5 96 99 98 99 445 186.8 2.621 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5380 1751.2 2.5 scans 62% 217 m/z 1.1% 0.0192% 1088 1.1 140 83553 0.0929% 809967 786376 3899404 0-1 11: 217 218 450 219 232 451 191 305 169 452 203 0.992 17.63 -6.8 86 85 81 87 450 21.0 2.238 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN TAB_REP6-N1048 Citric acid 18.2261 1801.5 2.7 scans 37% 273 m/z 2.8% 0.0103% 1154 1.1 100 35257 434850 427387 3-0 16: 273 363 274 347 375 465 275 211 364 156 231 348 376 221 466 183 0.775 18.24 -1.3 93 95 67 96 465 16.6 2.775 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4166 1816.0 4.0 scans 94% TIC 0.028% 2.66% 1172 0.6 1318 3477174 112011537 106761333 1-2 0.981 17.91 37.8 96 99 98 100 327 125.5 0.907 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1012 Phytol 18.5513 1826.3 3.2 scans 95% 68 m/z 0.079% 1.07% 1185 0.5 937 1258267 1.19% 45303315 42441613 49949306 1-1 20: 68 95 82 123 57 69 55 81 83 67 97 71 109 96 124 111 79 56 110 70 1.000 18.04 38.2 94 98 99 99 278 56.9 0.368 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1016 Hexadecene 18.6112 1830.8 2.6 scans 87% 70 m/z 0.30% 0.136% 1190 1.2 367 326785 0.948% 5725499 5340380 39791548 0-1 20: 70 69 57 71 55 83 111 56 125 97 126 280 84 85 140 67 112 82 68 98 0.997 18.10 38.4 82 81 92 97 280 55.2 2.269 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6386 1832.9 2.7 scans 70% 285 m/z (70) 0.74% 0.0670% 1193 1.0 236 135084 0.609% 2813718 2294417 25562292 13-2 18: 285 117 73 75 132 129 286 145 118 131 287 300 201 116 257 241 130 61 0.983 18.73 -6.8 95 96 88 97 300 22.0 0.870 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1076 Pregnane?? 18.7564 1841.9 2.7 scans 70% 345 m/z 1.3% 0.0260% 1204 1.1 162 73451 1092077 1090967 0-1 18: 345 255 346 147 347 334 256 435 148 239 215 372 419 257 348 335 141 436 0.903 18.86 -7.8 87 86 76 86 537 8.7 0.286 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8406 1848.3 2.6 scans 93% 81 m/z 0.43% 0.169% 1212 1.0 411 232211 7103365 6685782 1-4 20: 81 82 95 68 123 57 69 55 83 67 79 71 96 124 109 97 53 111 278 110 0.998 18.58 19.9 96 94 98 99 278 47.2 1.321 0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1018 Fructose 18.9332 1855.4 2.9 scans 58% 73 m/z 1.9% 0.0143% 1221 0.7 123 50889 0.0312% 601276 596129 1309595 0-1 20: 73 103 307 217 147 308 218 277 309 104 189 89 133 74 172 205 278 364 117 173 0.977 18.52 31.1 89 91 91 91 364 11.5 0.885 0.408 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN BRA4_R~2-N1004 Galactose 19.2520 1879.7 2.8 scans 34% 319 m/z 4.7% 0.00608% 1251 0.8 78 20955 0.0165% 255588 255220 692574 0-1 8: 319 205 160 320 321 206 189 157 0.948 19.36 -8.4 88 88 79 89 364 0.0 0.000 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1068 Galactopyranose 19.3299 1885.7 2.9 scans 58% 204 m/z 1.4% 0.0261% 1259 1.4 153 69250 1096958 1065879 0-2 15: 204 73 191 147 205 192 218 74 189 148 303 219 231 89 169 0.929 19.32 1.2 81 79 78 85 435 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9054 1931.1 2.8 scans 87% TIC 0.24% 0.126% 1313 1.6 308 402677 0.151% 5300851 4720102 6338105 2-1 0.989 19.91 -0.6 96 94 94 99 361 14.5 0.222 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7819 2001.7 2.8 scans 92% 75 m/z 0.19% 0.463% 1397 0.8 653 519258 0.553% 19463373 18732721 23211737 0-1 20: 75 73 79 67 93 95 91 108 129 80 55 117 94 81 307 121 77 135 107 145 0.999 20.27 41.5 83 83 94 97 322 45.4 0.484 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1038 C16:0 21.1512 2032.7 3.5 scans 96% 313 m/z 0.025% 2.46% 1432 0.4 1360 3934719 103512376 96638000 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 201 57 69 74 269 315 116 1.000 20.62 44.4 94 99 99 100 328 157.5 1.343 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6521 2074.8 2.8 scans 54% 305 m/z 1.3% 0.0371% 1479 1.1 182 72850 1560536 1474655 9-1 19: 305 217 318 147 191 306 319 265 218 204 307 432 320 192 291 433 148 367 219 0.895 21.75 -8.1 91 91 78 91 507 11.7 0.409 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1708 2119.1 3.0 scans 19% 396 m/z 6.9% 0.00480% 1529 1.2 63 14452 0.00593% 201683 201683 248907 0-0 6: 396 219 397 398 381 220 0.823 22.19 -1.4 86 87 68 88 396 30.7 23.432 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2655 2127.4 >4 scans 65% TIC 1.1% 0.0509% 1538 1.5 204 89417 0.102% 2136695 2136695 4281369 0-0 0.994 22.33 -5.6 95 94 93 96 342 19.7 0.935 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3886 2138.1 2.9 scans 26% 204 m/z 3.7% 0.00592% 1549 1.1 72 26570 0.0509% 248674 210027 2136487 4-4 5: 204 249 205 206 265 0.917 22.71 -28.4 82 84 77 88 518 0.0 0.000 -0.325 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1040 Phytol 22.6117 2157.6 3.1 scans 92% 143 m/z 0.039% 0.524% 1571 0.9 658 2515733 22019865 20624720 2-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 83 97 82 67 74 96 0.997 22.08 46.1 80 82 89 97 181 10.6 0.026 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1042 C18:2 23.0483 2195.8 >4 scans 89% 73 m/z (342) 0.095% 1.31% 1612 1.0 868 1047549 6.17% 55291608 50708472 258980858 4-0 20: 73 74 192 169 153 155 226 218 143 254 205 208 253 214 101 203 219 209 141 144 0.986 22.53 45.0 85 91 96 99 352 51.3 0.349 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1820 2207.8 5.7 scans 89% 75 m/z 0.034% 6.56% 1625 0.2 1582 2882526 6.73% 275761600 261740760 282486414 2-1 20: 75 79 73 95 93 67 108 81 80 91 55 107 129 94 121 335 77 117 135 149 0.957 23.12 6.0 95 95 94 94 350 114.7 0.525 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1036 C18:0 23.4040 2228.1 2.7 scans 90% 341 m/z 0.082% 0.613% 1646 0.8 772 1216184 25765016 24331560 2-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 0.997 22.89 46.3 93 98 97 99 356 100.1 1.684 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7091 2256.0 2.9 scans 39% 163 m/z (95) 0.42% 0.0534% 1675 1.0 216 237092 0.0576% 2242990 2108730 2417714 2-12 7: 163 331 164 165 161 88 90 0.974 23.72 -0.9 93 94 91 96 331 47.7 4.889 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1395 2295.3 3.2 scans 38% 204 m/z (98) 0.64% 0.0461% 1716 0.8 183 154613 0.0570% 1936930 1726197 2392530 0-9 16: 204 337 205 217 147 103 206 338 218 191 361 101 339 243 203 362 0.984 24.18 -3.8 91 93 90 93 581 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1018 myo-Inositol 25.2064 2396.5 3.7 scans 59% TIC 1.0% 0.0576% 1817 1.3 212 90910 0.147% 2418569 2418569 6170208 0-0 0.952 25.21 -0.3 97 96 94 97 470 14.9 0.491 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6178 2437.1 3.1 scans 54% 91 m/z 0.47% 0.0417% 1856 1.3 185 210638 0.0578% 1752300 1675668 2426109 4-3 15: 91 117 194 207 92 208 115 193 65 312 104 51 118 178 179 0.970 25.61 0.8 98 98 97 98 312 22.6 1.498 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2975 2504.6 3.2 scans 46% 204 m/z 0.52% 0.0614% 1921 1.0 211 190502 2578750 1840543 21-0 9: 204 217 205 219 206 218 305 101 220 0.936 25.86 43.9 85 87 91 99 361 10.7 0.258 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5532 2531.0 2.8 scans 49% 512 m/z (383) 0.45% 0.102% 1945 0.9 308 217840 4282003 4057329 1-1 17: 512 455 247 513 456 514 483 248 263 349 457 497 484 423 235 249 515 0.969 26.57 -2.1 96 97 91 98 512 105.4 11.737 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9267 2569.6 2.8 scans 85% 371 m/z 0.050% 0.675% 1981 0.7 792 1984200 28372399 27234742 2-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 103 71 116 101 75 145 117 85 0.999 26.39 55.0 90 97 97 100 459 101.0 1.630 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN LQC1-N1008 Sucrose 27.4139 2620.6 2.8 scans 59% 361 m/z 0.18% 0.179% 2027 1.0 417 527158 7535607 6822263 1-4 11: 361 362 437 363 271 451 438 169 439 364 452 0.971 27.59 -18.9 99 98 92 98 437 78.1 3.506 -0.177 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7281 2764.1 3.2 scans 87% 399 m/z 0.098% 0.414% 2152 1.2 583 1019172 17383302 17041936 0-2 19: 399 400 73 147 57 129 205 203 487 103 401 55 71 116 117 145 101 267 85 0.997 28.19 60.2 89 98 98 100 487 74.2 1.622 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN SQUALENE-N1017 Squalene STD 29.1058 2806.6 3.3 scans 92% 69 m/z 0.023% 1.46% 2188 0.6 1064 4241230 61313914 56177414 1-3 20: 69 81 95 137 136 121 68 93 123 67 149 109 107 135 82 70 55 79 94 53 1.000 29.09 1.5 99 98 99 99 410 55.7 0.275 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8445 2889.7 5.8 scans 53% 57 m/z 0.54% 0.114% 2258 1.9 239 182949 4798974 4377408 10-1 18: 57 71 85 99 55 56 83 113 97 70 127 84 86 98 140 141 72 112 0.982 29.83 2.0 97 97 98 98 408 15.0 0.395 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1038 Hexacosanol 30.2306 2935.0 5.2 scans 90% 439 m/z 0.015% 3.11% 2295 0.5 1282 6595316 3.72% 130716050 127700620 156144050 0-1 20: 439 440 75 57 103 73 441 97 83 55 71 69 91 89 111 85 61 101 99 77 0.997 30.17 6.9 99 97 95 100 439 654.8 26.187 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4358 2959.4 3.4 scans 46% 193 m/z (204) 0.72% 0.109% 2314 1.4 281 138138 4598600 4176392 1-2 14: 193 119 105 163 120 194 176 171 247 515 325 106 158 516 0.974 30.36 9.3 85 86 89 89 529 11.9 0.181 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1048 Hentriacontane 31.6932 3108.7 14.4 scans 95% 57 m/z 0.015% 12.7% 2434 0.1 1624 6351682 537030234 530909227 1-0 20: 57 71 85 99 55 113 69 97 83 56 127 70 141 111 84 155 98 112 169 125 0.994 31.53 19.2 99 98 99 99 436 91.5 0.318 0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.9152 3135.1 4.7 scans 80% 502 m/z 0.021% 2.17% 2455 0.3 1097 4682012 91353380 90370892 1-0 16: 502 237 503 73 236 238 504 277 221 223 208 239 74 505 193 207 0.968 31.79 14.7 100 99 87 99 502 551.7 25.343 0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1004 Campesterol 32.8254 3243.2 3.9 scans 83% TIC 0.14% 0.971% 2541 0.5 849 698876 40770643 40067057 1-0 0.994 32.21 73.1 84 96 98 99 472 124.7 2.157 0.615 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1046 Stigmasterol 33.0021 3264.1 3.3 scans 76% 83 m/z 0.21% 0.553% 2558 0.8 692 475788 23232753 22290410 1-1 19: 83 129 55 255 394 484 69 81 75 133 159 105 119 145 107 351 355 91 485 0.992 32.98 2.3 96 95 98 97 665 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1263 3278.9 3.3 scans 84% 57 m/z 0.042% 1.07% 2570 0.5 933 2360375 45072827 45047966 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 155 98 112 82 169 0.991 33.10 3.5 89 86 97 92 515 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN WTF2-N1034 b-Sitosterol 33.5072 3324.1 3.8 scans 84% TIC 0.12% 1.08% 2606 0.6 909 807354 1.81% 45513050 42301904 75973315 4-3 0.999 32.88 74.8 85 97 98 99 486 130.7 2.069 0.630 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.6071 3336.0 3.5 scans 23% 386 m/z 2.4% 0.0626% 2616 1.1 212 40035 2629095 2356900 2-2 7: 386 296 387 257 371 388 469 0.924 33.58 2.7 86 86 86 93 505 0.0 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8965 3370.4 3.7 scans 14% 441 m/z 1.0% 0.0281% 2643 1.0 141 91677 1183529 1102754 1-1 4: 441 442 646 443 0.909 33.80 12.0 94 95 80 95 646 22.7 2.580 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5920 3453.0 3.9 scans 48% 596 m/z 0.22% 0.171% 2709 0.8 338 441852 7189891 6886119 1-2 17: 596 597 598 331 316 599 302 315 318 356 303 332 317 300 330 342 357 0.967 34.47 14.3 97 95 86 100 596 169.5 25.216 0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN EXBLK5S-N1006 Contamination 6.3626 1047.8 2.1 scans 75% 207 m/z 0.47% 0.0324% 26 1.6 198 218293 0.0346% 1433790 1306715 1531167 0-12 16: 207 73 295 208 209 296 191 297 279 74 193 189 177 210 192 247 0.992 6.63 -15.5 98 97 90 97 295 61.6 9.662 -0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1192 Contamination 7.9630 1142.6 2.6 scans 94% 147 m/z 0.071% 0.486% 178 0.8 660 1443792 21512544 19744202 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 100 149 75 103 131 134 236 0.995 7.99 -1.6 99 98 97 99 235 136.3 4.275 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1188 Contamination 8.3028 1162.8 2.4 scans 51% 281 m/z 3.8% 0.00691% 211 1.0 85 27122 306208 298901 0-2 10: 281 369 282 283 370 265 371 207 168 249 0.983 8.41 -6.6 93 92 73 96 369 25.1 8.658 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1186 Phosphate 8.4954 1174.2 2.3 scans 94% 241 m/z 0.19% 0.0721% 229 1.2 286 529313 3193434 3191856 0-1 20: 241 242 133 163 211 256 73 243 135 195 98 59 89 137 119 121 181 257 212 134 0.998 8.56 -3.8 100 99 99 100 299 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1180 Benzoic acid 9.6633 1242.8 3.2 scans 35% 179 m/z 6.3% 0.00367% 340 0.6 54 16358 0.00535% 162540 162540 236756 0-0 6: 179 105 135 180 194 51 0.777 9.76 -5.7 93 95 85 94 194 9.9 3.406 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN VEN77_S6-N1002 Glycerol 10.0347 1264.6 5.9 scans 99% 316 m/z 0.012% 3.52% 375 0.6 1277 8435347 155946364 155482298 1-0 20: 316 302 189 285 195 303 317 270 102 318 196 138 293 180 271 139 106 161 130 268 1.000 10.09 -3.4 98 96 92 99 299 711.8 31.230 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1174 Proline 10.4325 1287.9 3.5 scans 35% 142 m/z 2.9% 0.00382% 413 0.7 52 34807 169072 165535 4-0 3: 142 144 216 0.769 10.55 -6.5 88 93 69 92 142 45.7 76.566 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6608 1301.3 3.0 scans 53% 199 m/z 1.2% 0.0395% 435 0.8 180 83828 0.0400% 1752249 1660463 1770136 7-1 16: 199 75 117 145 131 200 132 129 67 118 81 79 61 76 72 201 0.703 10.73 -4.3 95 94 91 100 209 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9964 1321.5 2.8 scans 59% 184 m/z 3.2% 0.00993% 467 1.0 96 31641 0.0103% 439806 435443 455810 2-2 18: 184 134 285 174 77 86 100 286 185 227 59 172 135 186 110 130 175 178 0.969 11.06 -4.0 97 97 90 97 285 29.9 9.741 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3679 1343.8 3.6 scans 88% 57 m/z 0.46% 0.0654% 502 0.7 217 221736 0.0722% 2894512 2860918 3195095 2-1 19: 57 97 115 145 127 69 55 129 56 59 111 128 109 58 72 83 87 98 146 0.989 11.45 -4.7 99 98 97 99 145 63.6 8.583 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN TAB_REP6-N1026 Malic acid 13.4523 1472.5 2.5 scans 74% 73 m/z 1.3% 0.0198% 700 1.0 147 75151 878926 819519 3-1 19: 73 147 233 245 189 190 133 148 234 191 175 101 74 149 335 265 55 306 307 0.957 13.53 -5.1 88 88 83 88 335 16.6 1.285 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1044 Dodecanol 14.7149 1554.8 2.7 scans 88% TIC 0.42% 0.0549% 820 0.8 225 244817 2433746 2200644 3-1 0.983 14.24 31.4 96 97 97 99 243 121.3 29.084 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1806 1654.4 2.9 scans 76% 290 m/z (156) 0.33% 0.0636% 959 1.9 216 308390 2814968 2736318 1-2 14: 290 291 292 158 392 144 131 115 393 293 172 394 160 200 0.965 16.28 -6.7 96 97 94 99 392 29.6 1.879 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5363 1679.1 2.7 scans 91% 55 m/z 0.27% 0.138% 993 1.2 345 373395 0.152% 6110585 5181667 6726515 9-4 18: 55 83 73 69 56 97 70 57 84 111 82 127 98 113 68 140 112 96 1.000 16.63 -6.3 99 98 99 98 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1010 Glycerol-P 17.4706 1746.2 2.7 scans 98% 357 m/z 0.037% 1.40% 1082 0.7 1168 2788690 62246348 61872524 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 387 133 301 129 256 218 328 1.000 16.97 36.7 96 99 99 99 445 187.2 2.571 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5443 1751.6 2.5 scans 59% 217 m/z 1.1% 0.0184% 1089 1.0 137 86810 0.0929% 814569 788473 4111140 1-1 9: 217 218 450 219 305 191 257 232 451 0.988 17.63 -6.4 85 84 78 86 450 21.1 2.368 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN TAB_REP6-N1048 Citric acid 18.2303 1801.8 2.6 scans 32% 273 m/z 4.2% 0.00670% 1154 1.1 81 24115 296789 261252 4-1 15: 273 363 375 274 347 465 211 275 376 257 364 348 156 221 466 0.758 18.24 -1.0 92 94 63 94 465 13.9 2.967 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.2 scans 95% TIC 0.030% 2.59% 1173 0.5 1233 3411207 114680355 110003137 1-3 0.994 17.91 38.3 96 99 98 99 327 118.6 0.925 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1012 Phytol 18.5554 1826.6 3.1 scans 97% 68 m/z 0.076% 1.05% 1185 0.6 934 1353909 1.18% 46853533 46387869 52219001 1-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.5 94 98 99 99 278 55.8 0.357 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1016 Hexadecene 18.6185 1831.4 2.7 scans 87% 70 m/z 0.31% 0.131% 1191 1.1 353 325985 0.904% 5838041 5537279 40005065 0-1 20: 70 69 57 71 55 83 111 56 125 126 97 280 84 85 140 67 112 68 82 98 0.993 18.10 39.0 82 81 93 97 280 53.4 2.281 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.7 scans 73% 285 m/z (70) 0.74% 0.0571% 1194 1.0 225 138139 2529527 2418515 1-1 18: 285 117 75 132 129 286 145 131 118 300 241 201 287 116 257 130 76 61 0.982 18.73 -6.3 94 94 88 97 300 21.9 0.954 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1076 Pregnane?? 18.7616 1842.3 2.6 scans 52% 345 m/z 1.9% 0.0155% 1205 1.0 125 54265 688561 664058 1-0 15: 345 147 346 255 347 334 256 435 74 239 243 108 372 419 257 0.779 18.86 -7.4 85 85 70 85 537 7.5 0.360 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8479 1848.9 2.7 scans 92% 81 m/z 0.45% 0.156% 1213 1.0 389 228308 6926743 6496187 1-3 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 124 97 109 111 278 110 53 0.997 18.58 20.5 96 94 98 99 278 46.0 1.394 0.269 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1018 Fructose 18.9363 1855.6 4.6 scans 46% TIC 3.2% 0.00778% 1221 1.0 90 31711 0.0998% 344501 344501 4416488 0-0 0.936 18.52 31.3 85 89 86 90 364 8.2 0.831 0.411 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN BRA4_R~2-N1004 Galactose 19.2583 1880.2 2.7 scans 15% 319 m/z 10% 0.00219% 1252 1.2 46 9491 0.00352% 97179 97179 155772 0-0 4: 319 160 320 206 0.734 19.36 -7.9 81 83 51 83 364 0.0 0.000 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1068 Galactopyranose 19.3340 1886.0 2.8 scans 53% 204 m/z 1.4% 0.0215% 1259 1.1 139 68869 953476 851149 1-3 11: 204 191 205 192 206 193 305 291 219 203 303 0.864 19.32 1.5 83 81 82 86 435 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9128 1931.7 2.8 scans 84% 204 m/z 0.24% 0.0967% 1314 1.3 297 425609 4279352 3948397 4-1 17: 204 73 217 205 159 147 206 129 218 103 189 191 133 160 219 305 148 0.997 19.91 0.0 96 94 95 99 361 13.4 0.204 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7882 2002.2 2.8 scans 92% 75 m/z 0.20% 0.420% 1397 0.9 617 500638 0.499% 18611728 18136844 22082442 0-1 20: 75 79 73 93 67 95 91 108 80 129 55 81 94 121 77 307 135 117 107 145 0.998 20.27 42.0 82 83 94 97 322 43.1 0.487 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1038 C16:0 21.1607 2033.5 3.6 scans 97% 313 m/z 0.024% 2.55% 1433 0.3 1346 4224164 113093984 109646056 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 201 69 315 269 285 74 1.000 20.62 45.2 94 99 99 100 328 157.1 1.363 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6562 2075.1 2.8 scans 50% 305 m/z 2.0% 0.0238% 1480 1.0 149 51240 1054685 1004485 2-1 18: 305 217 318 147 191 306 265 319 218 307 432 320 192 367 433 219 291 266 0.870 21.75 -7.8 91 90 77 92 507 10.7 0.512 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1771 2119.7 2.9 scans 14% 396 m/z 7.8% 0.00342% 1529 1.4 54 13232 0.00433% 151442 143462 191617 1-0 6: 396 219 397 381 398 307 0.813 22.19 -0.8 83 84 48 88 396 28.2 27.382 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2707 2127.8 6.6 scans 61% TIC 1.4% 0.0543% 1538 1.2 198 73587 0.0939% 2405567 2244478 4155393 0-1 0.984 22.33 -5.2 95 94 92 96 342 18.9 0.919 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3938 2138.6 2.9 scans 24% 204 m/z 3.8% 0.00562% 1550 1.3 67 26532 248946 204291 2-3 4: 204 249 205 206 0.902 22.71 -27.9 83 86 77 88 518 0.0 0.000 -0.320 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1042 C18:2 23.0820 2198.7 >8 scans 74% 75 m/z 0.10% 1.62% 1615 0.9 752 1005381 4.56% 71989998 69499075 201795460 3-0 20: 75 81 67 82 96 54 55 110 129 150 178 117 109 124 164 69 138 83 136 123 0.922 22.53 47.9 80 85 83 94 352 51.7 0.473 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 5.5 scans 91% 79 m/z 0.035% 5.35% 1626 0.2 1558 2877939 6.51% 236810880 227975898 288089572 0-3 20: 79 75 73 95 93 108 67 335 80 81 91 107 94 129 121 55 135 149 77 117 0.987 23.12 6.8 96 95 97 95 350 113.9 0.534 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1036 C18:0 23.4134 2228.9 2.7 scans 90% 341 m/z 0.076% 0.663% 1647 0.7 778 1342100 29358474 27416725 3-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 343 118 69 201 74 297 116 0.997 22.89 47.1 93 99 98 99 356 102.2 1.724 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7175 2256.7 2.9 scans 29% 163 m/z 0.57% 0.0381% 1676 0.9 183 180116 0.0448% 1687873 1585165 1982552 2-12 7: 163 331 164 165 332 88 90 0.803 23.72 -0.2 91 91 80 95 331 40.3 4.864 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1426 2295.6 3.3 scans 35% 204 m/z 0.64% 0.0336% 1716 0.9 160 159455 0.0421% 1488877 1265942 1863068 0-9 19: 204 205 217 337 147 103 206 219 218 191 361 339 101 148 203 243 362 291 271 0.764 24.18 -3.5 91 92 72 91 581 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1018 myo-Inositol 25.2127 2397.1 3.8 scans 57% TIC 1.1% 0.0464% 1818 1.1 203 87459 0.151% 2053952 2038854 6682262 0-1 0.942 25.21 0.3 96 95 91 97 470 13.8 0.463 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6283 2438.1 3.3 scans 52% 91 m/z 0.51% 0.0396% 1857 1.4 173 200998 0.0546% 1752713 1662254 2416235 4-3 15: 91 117 194 207 92 193 208 115 65 312 104 118 51 178 63 0.983 25.61 1.8 97 97 96 97 312 21.1 1.495 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3059 2505.5 3.2 scans 48% 204 m/z 0.53% 0.0608% 1922 1.0 205 194291 2692770 2068786 20-0 7: 204 217 205 219 206 218 305 0.932 25.86 44.8 84 87 90 99 361 10.5 0.265 0.450 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5595 2531.7 2.8 scans 48% 512 m/z 0.47% 0.0987% 1946 0.9 299 215699 4372208 4369658 0-1 17: 512 455 247 513 456 483 514 248 349 263 457 484 423 497 409 249 235 0.963 26.57 -1.4 98 97 88 98 512 106.7 12.681 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9341 2570.4 2.9 scans 89% 371 m/z 0.039% 0.876% 1981 0.8 870 2589303 38803156 37938738 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 75 145 117 101 85 1.000 26.39 55.8 90 98 97 100 459 110.7 1.624 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN LQC1-N1010 Sucrose 27.4191 2621.1 2.9 scans 57% 361 m/z 0.23% 0.153% 2027 0.9 365 447465 6782451 6535727 1-1 10: 361 362 437 363 271 451 438 439 364 452 0.957 27.58 -17.1 99 98 91 99 437 69.1 3.583 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7375 2765.2 3.3 scans 87% 399 m/z 0.076% 0.541% 2153 1.3 638 1357362 23974079 22448649 1-2 19: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 117 101 267 133 0.998 28.19 61.3 88 97 97 100 487 81.9 1.653 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN SQUALENE-N1017 Squalene STD 29.1174 2807.9 3.4 scans 94% 69 m/z 0.020% 1.73% 2189 0.6 1122 4984309 76675719 76236374 0-3 20: 69 81 95 137 136 68 121 93 67 123 109 149 107 135 82 70 55 94 79 53 1.000 29.09 2.8 99 98 99 99 410 58.9 0.276 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8476 2890.1 5.9 scans 51% 57 m/z 0.58% 0.101% 2258 2.4 225 176270 4490248 4055957 10-2 18: 57 71 85 55 99 56 113 83 97 70 127 84 141 169 98 140 58 72 0.979 29.83 2.4 98 98 98 98 408 13.7 0.368 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1038 Hexacosanol 30.2422 2936.4 5.2 scans 89% 439 m/z 0.014% 3.26% 2296 0.4 1283 7157788 3.88% 144433811 136974779 171703155 0-2 20: 439 440 75 57 103 73 441 97 83 55 69 71 91 89 85 111 61 101 99 423 0.996 30.17 8.3 99 97 95 100 439 655.7 26.229 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4442 2960.4 3.3 scans 54% 193 m/z (204) 0.58% 0.130% 2315 1.3 310 177305 5760521 5559818 1-1 12: 193 119 105 163 120 176 194 171 247 515 325 106 0.970 30.36 10.3 87 89 92 91 529 13.7 0.196 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1048 Hentriacontane 31.6795 3107.1 >13 scans 94% 111 m/z 0.016% 10.8% 2432 0.2 1525 6168117 12.3% 481779002 463393856 544316703 1-0 3: 111 281 308 1.000 31.53 17.6 97 95 98 98 436 88.7 0.339 0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.9267 3136.4 4.9 scans 78% 502 m/z 0.020% 2.26% 2456 0.3 1090 4921073 100344545 99898859 1-0 16: 502 237 73 503 236 238 504 277 221 223 208 239 74 193 505 207 0.960 31.79 16.0 99 99 87 99 502 543.7 24.924 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1004 Campesterol 32.8327 3244.0 3.6 scans 81% 129 m/z 0.14% 0.957% 2542 0.6 827 715994 42363197 39630739 1-1 19: 129 343 382 472 367 95 75 119 107 121 344 105 145 81 383 342 159 71 55 0.996 32.21 73.9 84 96 97 98 472 123.2 2.219 0.623 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1046 Stigmasterol 33.0105 3265.1 3.2 scans 76% 83 m/z 0.22% 0.518% 2559 0.7 664 467030 22954457 22252823 1-1 18: 83 129 55 255 394 484 81 75 159 133 119 105 145 107 93 351 95 355 0.992 32.98 3.3 96 95 98 97 665 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1347 3279.9 3.4 scans 86% 57 m/z 0.044% 1.08% 2571 0.5 894 2345178 48063453 46485553 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 155 98 112 125 169 0.992 33.10 4.5 90 88 97 92 515 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN WTF2-N1034 b-Sitosterol 33.5166 3325.3 3.5 scans 83% 129 m/z 0.12% 1.07% 2607 0.5 891 826701 1.15% 47525256 44788373 50891399 4-2 19: 129 357 396 486 381 95 107 121 75 119 81 145 358 397 105 57 356 159 133 0.999 32.88 76.0 85 97 98 99 486 131.1 2.166 0.640 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6166 3337.1 4.9 scans 27% TIC 2.3% 0.0232% 2616 1.1 215 43083 0.638% 1027792 1027792 28233663 0-0 0.918 33.58 3.8 86 86 83 92 505 0.0 0.000 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9028 3371.1 3.6 scans 25% 441 m/z 0.61% 0.0492% 2644 1.0 187 169188 2179955 2143910 0-1 10: 441 442 646 308 443 647 237 329 648 425 0.925 33.80 12.7 96 96 85 97 646 29.1 2.437 0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\GLAU_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5993 3453.8 4.0 scans 42% 596 m/z 0.22% 0.168% 2710 0.9 327 456582 7448658 6830677 2-9 16: 596 597 331 316 302 599 315 356 318 303 332 317 300 330 301 286 0.953 34.47 15.1 97 95 87 100 596 165.6 25.636 0.127 G:\GCMS data\Nicotiana Panel nonpolar repeated\MeOH - 0001.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.5493 2430.3 >10 scans 97% 91 m/z 0.062% 20.9% 1850 0.5 615 1597366 31.4% 42571078 41423055 63789906 1-0 4: 91 117 92 65 0.999 25.61 -6.0 98 96 98 99 312 68.4 1.234 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\MeOH - 0004.FIN WTF2-N1016 Hexadecene 18.6206 1831.6 3.1 scans 69% 70 m/z 5.7% 0.0326% 1191 1.1 95 17415 0.0679% 355266 323701 738016 0-1 18: 70 69 57 55 83 71 56 125 84 97 126 85 280 140 67 82 112 68 0.995 18.10 39.2 88 92 91 95 280 14.6 2.375 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\MeOH - 0004.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1025 1868.3 3.2 scans 66% 82 m/z 11% 0.0297% 1237 1.1 83 8605 0.0498% 322829 280120 541284 1-6 14: 82 81 68 123 95 57 278 71 96 83 97 109 124 85 1.000 18.58 39.9 83 90 89 90 278 12.7 2.296 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\MeOH - 0004.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9127 1931.7 >4 scans 59% TIC 3.4% 0.0191% 1314 1.4 82 28611 0.964% 207936 186844 10477865 0-4 0.984 19.91 0.0 83 82 77 83 361 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\MeOH - 0004.FIN FAME-N1014 C18:0-methyl ester 22.1213 2114.8 3.8 scans 68% 74 m/z 1.6% 0.106% 1524 1.6 149 59741 1157913 1041237 1-8 17: 74 87 298 143 255 55 57 199 69 83 267 88 101 59 56 299 111 0.978 22.28 -13.5 93 93 92 92 298 31.3 4.421 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN EXBLK5S-N1006 Contamination 6.3690 1048.1 1.9 scans 55% 207 m/z 1.7% 0.0108% 27 0.9 110 57089 325968 299959 1-2 9: 207 295 208 209 296 191 297 279 193 0.898 6.63 -15.2 93 93 80 93 295 35.5 10.313 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8000 1133.0 4.8 scans 67% TIC 2.3% 0.0133% 163 1.4 100 42454 0.456% 401433 401433 13747481 0-0 0.890 7.79 0.4 81 78 80 89 219 7.8 0.614 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1192 Contamination 7.9641 1142.7 2.5 scans 96% 73 m/z 0.071% 0.601% 178 0.9 707 1405389 18148511 17115040 2-1 20: 73 147 133 220 235 148 59 146 72 86 74 75 89 160 149 103 100 131 134 221 1.000 7.99 -1.5 100 98 99 99 235 140.4 3.942 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1026 Cadaverine NC 8.1272 1152.4 2.1 scans 51% 174 m/z 4.8% 0.00334% 194 1.0 60 20557 100855 100855 1-0 7: 174 175 100 216 142 176 160 0.956 7.74 23.2 92 93 84 93 216 15.8 6.914 0.391 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1188 Contamination 8.3103 1163.2 2.3 scans 66% 281 m/z 4.0% 0.00978% 211 1.1 95 24556 295074 277871 1-5 12: 281 147 369 282 283 370 207 265 148 149 371 249 0.831 8.41 -6.2 91 90 62 95 369 25.4 7.106 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1186 Phosphate 8.5070 1174.9 2.6 scans 98% 241 m/z 0.017% 1.41% 230 0.8 1090 5565385 42514360 42506680 1-0 20: 241 242 133 73 163 211 256 243 135 195 98 59 89 147 119 75 137 134 121 164 1.000 8.56 -3.1 100 99 99 100 299 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1180 Benzoic acid 9.6666 1243.0 2.6 scans 51% 179 m/z 4.5% 0.00644% 340 1.1 73 21824 0.00677% 194278 179175 204102 5-1 8: 179 105 135 77 180 51 194 136 0.871 9.76 -5.5 95 95 89 97 194 11.4 2.402 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN VEN77_S6-N1002 Glycerol 10.0485 1265.4 5.9 scans 95% 299 m/z 0.012% 4.90% 377 0.3 1384 7966011 147934513 143549530 1-1 20: 299 73 300 314 301 147 205 133 283 207 315 193 117 103 191 211 218 135 316 74 0.982 10.09 -2.6 99 97 93 99 299 772.9 31.342 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6651 1301.5 2.8 scans 93% TIC 0.99% 0.0841% 435 1.0 249 100965 2535877 2282848 6-1 0.997 10.73 -4.1 89 84 74 99 209 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0071 1322.1 2.6 scans 72% 184 m/z 5.2% 0.0101% 468 0.9 91 18966 305021 289116 1-1 12: 184 134 285 86 100 77 59 227 286 172 130 135 0.995 11.06 -3.4 90 90 76 92 285 25.4 7.704 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3785 1344.5 2.8 scans 18% 57 m/z (163) 0.32% 0.115% 503 1.2 281 306874 0.123% 3475041 3229658 3708202 3-1 17: 57 97 115 145 127 129 69 111 109 128 72 71 98 113 201 114 96 0.534 11.45 -4.0 93 96 95 99 145 80.0 8.131 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4111 1346.4 3.8 scans 95% TIC 0.020% 1.85% 506 0.5 1023 4955859 56030512 52187216 2-4 0.992 10.96 27.4 97 97 97 99 161 265.6 6.749 0.455 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN TAB_REP6-N1026 Malic acid 13.4534 1472.6 2.5 scans 93% TIC 0.22% 0.153% 700 1.0 357 447180 4639683 4181542 2-1 0.998 13.53 -5.0 99 98 97 98 335 40.4 1.282 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9480 1503.9 2.7 scans 42% 156 m/z 6.9% 0.00242% 747 1.0 45 14472 72952 72952 0-0 3: 156 157 258 0.960 14.11 -10.8 88 89 78 89 273 0.0 0.000 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2647 1524.9 2.5 scans 54% 263 m/z 1.0% 0.0195% 777 1.1 130 94343 588373 588199 0-1 14: 263 264 278 265 447 175 279 239 342 247 448 131 119 207 0.949 14.33 -4.1 91 87 86 97 278 32.4 6.210 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6613 1551.2 2.7 scans 42% 174 m/z 6.9% 0.00256% 815 1.0 47 14460 77198 77198 0-0 4: 174 86 175 176 1.000 14.16 32.9 80 83 69 87 250 7.4 2.538 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1044 Dodecanol 14.7182 1555.0 2.6 scans 66% 243 m/z 2.1% 0.0151% 820 1.0 110 46818 456064 432362 3-1 13: 243 244 103 97 89 245 83 61 101 111 76 115 81 0.945 14.24 31.6 94 96 88 97 243 59.3 29.246 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1839 1654.6 2.9 scans 41% 290 m/z (195) 1.4% 0.0193% 960 1.9 109 69487 582010 535183 1-3 8: 290 291 292 158 392 144 115 293 0.952 16.28 -6.5 94 96 85 98 392 15.0 1.913 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 3.0 scans 58% TIC 4.8% 0.00484% 993 0.9 83 20767 0.0362% 146124 146124 1091357 0-0 1.000 16.63 -6.6 84 84 87 84 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1010 Glycerol-P 17.4791 1746.9 2.7 scans 98% 357 m/z 0.032% 2.51% 1083 0.5 1390 3081799 75795126 74736625 0-1 20: 357 299 73 358 147 315 300 370 445 211 359 103 301 101 256 129 133 387 218 328 1.000 16.97 37.4 96 99 99 99 445 214.9 2.391 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5475 1751.9 2.6 scans 69% 217 m/z 0.86% 0.0356% 1089 1.1 173 116208 0.596% 1075997 1036050 17968199 0-1 15: 217 73 218 147 219 450 232 191 305 257 148 451 169 203 149 0.969 17.63 -6.1 89 88 85 88 450 24.6 2.030 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1086 Fructofuranose 18.1673 1797.1 2.7 scans 75% TIC 1.4% 0.0250% 1148 1.2 144 68715 0.0509% 754264 652916 1534532 2-0 0.979 18.13 2.5 87 85 84 88 437 35.5 6.118 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4251 1816.6 4.2 scans 94% TIC 0.033% 3.40% 1173 0.5 1333 3017254 102505582 96994906 1-2 0.976 17.91 38.4 96 99 98 100 327 123.3 0.857 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1012 Phytol 18.5639 1827.2 2.9 scans 98% 68 m/z 0.052% 2.14% 1186 0.5 1229 1915796 2.35% 64776112 64380235 70847763 1-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.1 94 98 99 99 278 70.5 0.329 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1016 Hexadecene 18.6218 1831.6 2.8 scans 92% TIC 0.23% 0.279% 1191 1.4 452 430152 5.74% 8428606 8212776 173049429 0-1 0.997 18.10 39.2 87 88 93 97 280 62.4 1.906 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6450 1833.4 2.7 scans 51% 285 m/z 2.1% 0.0271% 1194 1.1 147 47333 818303 812533 2-0 15: 285 117 132 129 145 286 118 201 300 61 287 116 241 257 130 1.000 18.73 -6.3 94 94 82 94 300 14.7 0.997 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1002 Phytol 18.8min 18.8501 1849.1 2.7 scans 94% 81 m/z 0.33% 0.312% 1213 1.1 509 302173 9411958 9003958 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 111 0.999 18.84 0.8 99 98 99 99 278 55.7 1.197 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9417 1856.0 2.7 scans 81% 73 m/z 0.60% 0.0710% 1222 1.1 239 166254 0.0720% 2142184 1993987 2170655 6-1 20: 73 103 307 217 147 308 133 218 277 104 74 189 309 205 117 364 89 148 219 172 0.995 18.40 41.0 92 96 95 99 364 22.5 0.881 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1018 Fructose 19.0595 1865.0 2.7 scans 59% 73 m/z 0.70% 0.0600% 1233 1.1 220 142327 0.123% 1811782 1616431 3708202 2-2 20: 73 103 307 217 147 308 218 277 309 74 104 89 262 133 364 205 148 219 117 189 1.000 18.52 40.7 87 90 91 96 364 21.7 0.978 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0974 1867.9 3.1 scans 97% TIC 0.17% 0.726% 1237 0.6 685 556167 21914609 20828011 1-3 0.999 18.58 39.5 93 96 98 99 278 88.9 1.688 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1068 Galactopyranose 19.2121 1876.7 2.7 scans 78% 204 m/z 0.74% 0.0423% 1247 1.2 187 134033 0.128% 1276692 1270659 3858942 1-0 19: 204 73 191 205 147 217 206 192 129 218 189 193 74 148 103 133 291 305 149 0.996 19.32 -7.8 93 92 91 93 435 10.3 0.305 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN BRA4_R~2-N1004 Galactose 19.2616 1880.4 2.7 scans 76% 73 m/z 0.97% 0.0509% 1252 0.9 199 102323 0.125% 1535360 1406012 3768498 0-1 20: 73 319 205 160 147 320 103 217 321 206 229 117 161 74 207 133 148 89 157 291 0.998 19.36 -7.7 94 93 91 95 364 12.7 0.405 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9034 1931.0 2.8 scans 45% 299 m/z (204) 3.6% 0.0243% 1313 1.1 134 27484 0.0304% 734706 665925 916499 5-1 12: 299 117 132 231 145 300 301 116 314 130 61 76 0.950 19.97 -5.6 82 79 78 96 314 11.6 0.752 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9097 1931.5 2.7 scans 38% 204 m/z (299 73) 1.3% 0.0191% 1314 1.0 119 73345 0.0220% 576907 531507 663256 4-2 8: 204 159 217 205 206 160 191 219 0.926 19.91 -0.2 84 89 78 88 361 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2738 1960.8 2.6 scans 83% TIC 0.42% 0.0836% 1348 1.4 257 233662 0.165% 2523320 2286558 4974417 1-1 0.996 20.41 -11.2 94 94 93 94 217 58.0 5.103 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7830 2001.8 2.8 scans 95% TIC 0.23% 0.517% 1397 0.9 626 432144 0.546% 15604346 15029906 16460799 1-3 1.000 20.27 41.6 83 83 95 98 322 40.3 0.414 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1038 C16:0 21.1502 2032.6 3.2 scans 98% 313 m/z 0.032% 2.66% 1432 0.4 1316 3052464 80378529 78293388 1-1 20: 313 117 73 132 75 129 145 314 55 328 131 133 118 57 201 69 315 74 269 116 1.000 20.62 44.3 94 99 99 100 328 147.0 1.248 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6584 2075.3 2.7 scans 79% 305 m/z 0.93% 0.0702% 1480 1.0 243 106402 2117401 2000513 1-1 18: 305 217 147 318 191 306 319 265 218 204 307 432 433 320 148 219 192 367 0.997 21.75 -7.6 95 94 93 94 507 15.7 0.414 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2729 2128.0 2.7 scans 40% 327 m/z (204) 2.5% 0.0332% 1538 1.0 147 38467 1003802 878771 10-2 12: 327 117 132 328 145 342 118 201 329 283 299 146 0.944 22.33 -5.0 93 95 91 97 342 16.5 1.264 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1040 Phytol 22.6149 2157.9 2.9 scans 95% TIC 0.054% 0.482% 1571 1.0 609 1825308 0.512% 14544629 14307928 15435768 1-2 1.000 22.08 46.4 80 82 90 96 181 8.4 0.019 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1042 C18:2 23.0442 2195.4 >6 scans 53% 129 m/z (73) 0.28% 0.720% 1612 1.3 548 356466 5.73% 21733766 20389386 172747949 6-0 20: 129 117 149 131 145 143 155 130 72 111 221 179 157 118 171 180 167 194 119 216 0.904 22.53 44.6 86 94 86 96 352 31.8 0.337 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1715 2206.8 5.8 scans 95% 79 m/z (357) 0.042% 6.76% 1624 0.3 1604 2371394 7.38% 203845577 197894320 222492123 0-2 20: 79 75 73 95 93 67 108 81 80 107 129 55 91 94 117 121 135 149 77 122 0.999 23.12 5.0 97 99 99 99 350 114.0 0.505 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1036 C18:0 23.4030 2228.0 2.7 scans 93% 341 m/z 0.12% 0.581% 1646 0.8 688 784988 17528634 17055207 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 343 201 74 116 83 1.000 22.89 46.2 94 99 99 99 356 85.0 1.525 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1018 myo-Inositol 25.2159 2397.4 3.1 scans 79% TIC 0.40% 0.204% 1818 1.0 374 249894 0.284% 6152084 5624306 8562027 3-1 0.971 25.21 0.6 97 95 93 100 470 24.8 0.440 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6158 2436.9 3.0 scans 53% 91 m/z 0.32% 0.0853% 1856 1.2 243 308977 2573011 2299047 2-4 19: 91 117 194 207 92 115 208 65 193 104 77 312 51 118 78 116 178 179 195 0.952 25.61 0.6 96 95 96 99 312 27.6 1.297 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3723 2512.3 2.9 scans 31% 204 m/z 0.50% 0.0563% 1928 0.9 220 196778 0.101% 1699205 1672577 3044946 0-1 6: 204 205 219 206 305 306 0.985 25.86 51.6 81 87 88 95 361 8.0 0.000 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5585 2531.6 2.7 scans 32% 512 m/z (218) 1.2% 0.0453% 1946 0.9 189 82538 1368321 1368321 0-0 18: 512 455 247 513 456 483 514 263 248 349 457 484 249 497 235 423 409 515 0.952 26.57 -1.5 93 95 83 96 512 60.8 10.373 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9321 2570.2 2.9 scans 87% 371 m/z 0.051% 1.01% 1981 0.7 883 1931929 30491001 30011238 0-3 20: 371 372 73 147 57 129 205 203 239 55 103 373 459 116 75 145 117 101 133 69 0.979 26.39 55.6 89 96 96 100 459 104.1 1.392 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN LQC1-N1010 Sucrose 27.4224 2621.5 3.3 scans 35% 361 m/z 0.74% 0.117% 2028 0.8 243 133880 0.172% 3545834 2543022 5185453 0-9 11: 361 362 363 437 271 451 438 439 452 364 272 0.750 27.58 -16.7 96 96 86 97 437 42.7 3.086 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6065 2641.1 3.5 scans 46% 99 m/z 0.72% 0.118% 2045 1.6 267 137942 0.194% 3573931 3573931 5848709 0-0 14: 99 71 189 205 173 145 100 287 270 215 187 227 240 228 0.967 27.60 0.5 84 79 77 98 368 19.5 0.533 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3683 2723.7 2.9 scans 45% 99 m/z (117) 0.46% 0.0869% 2118 1.0 243 216257 2622397 2366858 5-2 19: 99 71 189 173 283 171 385 100 184 187 185 273 287 286 269 196 288 386 285 0.986 28.41 -4.7 81 81 75 86 603 9.9 0.166 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6650 2757.0 3.3 scans 41% TIC 0.87% 0.0166% 2146 1.2 185 113767 0.366% 503111 503111 11034162 0-0 0.950 28.69 -2.4 90 90 89 90 603 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7303 2764.4 2.7 scans 89% 399 m/z 0.085% 0.564% 2152 0.9 685 1170421 17028399 16098549 1-1 20: 399 73 400 147 129 57 205 203 55 103 401 487 71 116 75 145 85 101 117 69 0.999 28.19 60.5 89 98 98 100 487 84.3 1.516 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN SQUALENE-N1017 Squalene STD 29.0838 2804.1 2.9 scans 58% 69 m/z 0.48% 0.0647% 2186 1.0 230 207436 1953449 1866102 1-1 19: 69 81 137 68 136 95 121 93 123 67 149 107 70 109 82 135 53 94 122 0.984 29.09 -1.0 90 89 95 89 410 10.4 0.202 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1034 Nonacosane 29.5184 2853.0 2.9 scans 87% 57 m/z 0.11% 0.413% 2227 0.8 567 881832 12468876 12282990 1-1 20: 57 71 85 55 99 56 69 83 97 365 113 70 127 111 84 141 58 155 393 98 0.999 29.50 1.5 94 91 97 99 408 19.6 0.119 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8488 2890.2 3.0 scans 90% 57 m/z 0.072% 0.710% 2258 0.7 712 1371285 21415575 20778767 1-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 126 0.999 29.83 2.5 95 92 98 100 408 43.1 0.367 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1038 Hexacosanol 30.1802 2929.0 2.9 scans 3.5% 439 m/z 10% 0.00175% 2290 1.0 37 9106 52948 52948 0-0 2: 439 440 0.684 30.17 0.9 80 90 39 93 439 26.1 50.476 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4190 2957.4 >4 scans 69% TIC 0.58% 0.123% 2313 0.8 305 172157 0.392% 3718876 3718876 11818010 0-0 0.965 30.36 7.3 84 83 88 85 529 10.8 0.126 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4717 2963.6 2.9 scans 81% 57 m/z 0.15% 0.317% 2318 0.8 485 657898 0.327% 9575780 9327623 9858391 4-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 84 141 58 155 0.999 30.46 1.0 99 98 99 100 393 106.7 4.842 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2177 3052.2 3.0 scans 84% 57 m/z 0.11% 0.465% 2388 0.8 580 890054 14033495 13576908 2-0 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 155 421 58 98 0.993 31.21 0.7 100 99 100 100 393 83.5 2.073 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1048 Hentriacontane 31.5375 3090.2 3.1 scans 84% 57 m/z 0.045% 1.22% 2419 0.6 926 2185911 37049404 35675633 1-1 20: 57 71 85 55 69 99 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.979 31.53 0.7 99 99 99 99 436 51.2 0.307 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8237 3124.2 2.9 scans 82% 502 m/z 0.077% 0.553% 2446 0.9 656 1283745 16690212 16534350 0-1 16: 502 237 503 73 236 238 504 57 277 221 223 74 208 239 505 193 0.990 31.79 3.8 100 99 97 99 502 310.3 22.407 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9511 3139.3 3.0 scans 58% 129 m/z 0.22% 0.636% 2458 1.1 668 453942 0.647% 19184460 17901012 19505746 1-0 18: 129 329 368 458 353 95 75 330 107 121 81 145 105 119 369 328 55 93 0.851 31.87 9.9 92 92 81 95 458 103.2 2.389 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1004 Campesterol 32.7854 3238.4 3.6 scans 51% 343 m/z (217) 0.44% 0.385% 2537 0.7 461 224544 0.447% 11632610 10939588 13476149 0-1 16: 343 129 382 472 367 95 107 121 119 344 383 105 342 473 120 255 0.981 32.21 68.3 80 94 86 95 472 70.5 2.340 0.575 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1046 Stigmasterol 32.9980 3263.7 3.4 scans 84% TIC 0.11% 1.60% 2558 0.6 1052 848615 2.48% 48243538 46637533 74767001 0-1 0.975 32.98 1.9 93 91 96 95 665 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3652 3307.3 3.2 scans 79% 99 m/z 0.12% 0.993% 2593 0.8 826 783959 2.16% 29965694 28491536 65119646 1-4 20: 99 217 361 189 73 71 199 437 529 362 169 103 218 173 438 287 147 530 363 271 0.997 33.38 -1.6 100 99 99 100 529 139.0 2.828 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN WTF2-N1034 b-Sitosterol 33.4936 3322.5 3.7 scans 85% TIC 0.12% 1.36% 2605 0.6 940 772139 3.02% 41149944 39704250 91046912 1-2 0.998 32.88 73.2 85 97 98 99 486 131.3 1.951 0.617 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.6083 3336.1 3.2 scans 61% 386 m/z (99) 0.37% 0.587% 2616 0.8 608 264484 17722568 17038964 1-3 8: 386 296 281 387 119 257 371 211 0.984 33.58 2.8 90 90 92 98 505 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8965 3370.4 3.3 scans 6.9% 441 m/z 2.5% 0.0122% 2643 0.9 89 38995 0.0124% 370615 352046 373835 1-1 5: 441 442 646 308 443 0.927 33.80 12.0 90 91 73 93 646 13.6 2.319 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5868 3452.3 3.7 scans 31% 596 m/z 0.56% 0.0909% 2709 1.0 228 175448 2742857 2621392 1-5 14: 596 597 598 331 316 599 302 318 356 303 317 300 330 370 0.963 34.47 13.6 97 96 88 99 596 114.7 25.318 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN EXBLK5S-N1006 Contamination 6.3584 1047.5 1.9 scans 52% 207 m/z 0.90% 0.0157% 26 1.0 129 109900 460367 442675 1-1 14: 207 295 208 209 296 191 297 193 279 189 177 210 247 192 0.837 6.63 -15.8 95 95 67 95 295 48.8 14.389 -0.267 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8420 1135.4 3.5 scans 55% 147 m/z (89) 3.3% 0.0106% 167 0.7 76 29456 0.360% 311322 311322 10538032 0-0 6: 147 73 148 66 149 74 0.979 7.79 2.8 85 85 84 93 219 7.4 0.939 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1192 Contamination 8.0072 1145.2 2.4 scans 93% 147 m/z 0.079% 0.569% 183 0.9 654 1261200 16670394 14911019 7-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 75 103 100 149 131 134 221 0.995 7.99 1.0 99 98 97 98 235 133.7 4.177 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1026 Cadaverine NC 8.1187 1151.9 2.3 scans 54% 174 m/z 6.0% 0.00374% 193 1.1 57 16484 109468 109468 0-0 4: 174 175 100 216 0.977 7.74 22.7 88 88 80 91 216 12.9 5.073 0.383 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1188 Contamination 8.3039 1162.8 2.2 scans 60% 281 m/z 3.4% 0.0111% 211 1.1 100 28810 325062 319015 0-1 12: 281 147 369 282 283 370 265 207 148 249 371 149 0.877 8.41 -6.6 92 90 64 96 369 28.0 7.819 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1186 Phosphate 8.5354 1176.6 2.2 scans 97% 241 m/z 0.031% 0.687% 233 0.7 776 3197430 20112791 18827754 1-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 137 75 121 257 134 1.000 8.56 -1.4 100 99 99 100 299 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1180 Benzoic acid 9.6918 1244.5 2.5 scans 53% 179 m/z 5.6% 0.00527% 343 1.2 63 17609 0.00747% 154444 150039 218664 1-2 7: 179 105 135 77 180 194 51 0.970 9.76 -4.0 95 96 88 96 194 8.7 1.930 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN VEN77_S6-N1002 Glycerol 10.0611 1266.1 5.9 scans 94% 299 m/z 0.012% 5.08% 378 0.3 1345 8116135 148715179 146467324 1-0 20: 299 73 300 314 301 147 133 283 207 315 193 211 191 316 74 135 75 225 148 131 0.986 10.09 -1.9 99 97 94 99 299 755.2 31.690 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6819 1302.5 2.6 scans 78% 199 m/z 1.1% 0.0524% 437 0.9 194 88619 1535754 1422105 2-1 18: 199 75 117 73 145 132 129 200 131 74 61 118 76 81 155 201 72 133 0.949 10.73 -3.1 98 97 93 99 209 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0218 1323.0 2.5 scans 69% 184 m/z 3.1% 0.0136% 469 1.0 105 31713 400858 399343 1-0 17: 184 134 285 174 86 77 100 59 185 172 227 286 186 130 135 74 178 0.929 11.06 -2.5 96 96 91 97 285 32.1 9.339 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3900 1345.2 2.9 scans 19% 57 m/z 0.37% 0.0939% 504 0.9 239 267549 0.108% 2749093 2546737 3161410 4-0 20: 57 97 115 145 127 129 69 111 59 109 72 128 71 98 87 201 113 114 110 96 0.983 11.45 -3.3 92 93 88 94 145 70.7 8.756 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4300 1347.6 3.6 scans 96% 84 m/z (215) 0.017% 2.05% 508 0.5 1066 5575742 60194301 59459517 1-1 20: 84 133 162 161 119 92 118 82 65 51 85 130 78 134 117 63 55 91 120 77 0.997 10.96 28.6 95 98 97 99 161 277.4 6.782 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN TAB_REP6-N1026 Malic acid 13.4565 1472.8 2.7 scans 92% TIC 0.32% 0.127% 700 1.0 294 308217 0.139% 3742883 3534343 4068851 2-2 0.988 13.53 -4.8 98 97 96 98 335 34.1 1.343 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1146 Malic acid 13.4576 1472.8 2.6 scans 92% 73 m/z 0.32% 0.116% 701 1.1 295 311463 3414165 3399873 2-0 20: 73 147 233 245 133 189 148 190 75 74 175 191 335 101 149 55 234 59 246 217 0.996 13.62 -10.0 98 97 96 97 350 0.0 0.000 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9521 1504.2 2.8 scans 17% 156 m/z 9.4% 0.00172% 748 0.8 35 10548 50453 50453 0-0 2: 156 157 0.934 14.11 -10.5 82 84 74 84 273 0.0 0.000 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2688 1525.2 2.6 scans 68% 263 m/z 0.81% 0.0283% 778 1.0 144 122179 828494 828494 1-0 15: 263 264 278 447 265 448 279 175 449 335 207 128 247 191 119 0.994 14.33 -3.8 83 77 84 97 278 35.8 6.171 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1044 Dodecanol 14.7192 1555.1 2.6 scans 66% 243 m/z 1.9% 0.0171% 820 1.1 112 52505 0.0180% 500730 500730 526902 0-0 12: 243 244 103 89 83 97 101 61 245 111 115 59 0.945 14.24 31.7 94 96 90 97 243 60.7 29.165 0.477 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1817 1654.5 2.9 scans 56% 290 m/z 1.3% 0.0208% 959 1.9 109 74610 609618 584097 1-2 8: 290 291 292 158 392 144 115 393 0.700 16.28 -6.6 89 87 59 98 392 16.4 2.277 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 3.0 scans 60% TIC 3.7% 0.00696% 993 1.2 90 26626 0.0720% 203754 203754 2107606 0-0 0.994 16.63 -6.6 86 86 87 86 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1010 Glycerol-P 17.4717 1746.3 4.3 scans 100% 69 m/z 0.037% 2.55% 1082 0.6 1252 2653320 5.53% 74695733 74695733 161875879 0-0 17: 69 57 71 111 83 70 125 112 97 84 56 126 154 110 265 160 82 1.000 16.97 36.8 96 99 99 99 445 194.4 2.414 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5464 1751.8 2.4 scans 61% 217 m/z 1.2% 0.0266% 1089 1.2 149 82394 0.214% 779994 757933 6264275 0-1 11: 217 218 219 450 305 232 191 451 148 257 203 0.997 17.63 -6.2 85 84 76 86 450 20.9 1.962 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN TAB_REP6-N1048 Citric acid 18.2367 1802.3 2.9 scans 55% 273 m/z 3.5% 0.0141% 1155 1.1 99 27882 0.0161% 413846 381182 471284 0-1 14: 273 147 375 347 275 149 465 221 305 257 183 348 376 143 0.968 18.24 -0.5 81 78 75 87 465 13.3 1.797 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4250 1816.6 4.1 scans 93% TIC 0.031% 3.60% 1173 0.6 1296 3141791 105624965 102403265 1-2 0.979 17.91 38.4 96 99 98 100 327 122.1 0.888 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1012 Phytol 18.5618 1827.1 3.1 scans 98% 68 m/z 0.061% 2.02% 1186 0.5 1106 1636746 2.21% 59315203 58521170 64691807 1-1 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.0 95 98 99 99 278 65.1 0.347 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1016 Hexadecene 18.6207 1831.6 2.7 scans 92% TIC 0.24% 0.259% 1191 1.5 426 400248 5.76% 7586015 7385130 168608510 0-1 0.997 18.10 39.2 85 85 92 97 280 59.8 1.968 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.7 scans 26% 285 m/z (70) 2.1% 0.0316% 1193 1.1 144 46705 0.733% 926281 883082 21456604 5-0 17: 285 117 75 132 129 145 286 131 118 300 201 287 241 116 61 76 130 0.952 18.73 -6.3 93 95 82 95 300 14.2 0.973 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.7 scans 93% 81 m/z 0.36% 0.314% 1213 1.0 476 277160 0.317% 9204448 8383343 9279323 1-9 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 278 0.999 18.84 0.7 98 97 99 98 278 53.7 1.275 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9406 1856.0 2.8 scans 83% TIC 0.58% 0.0828% 1222 1.2 237 170548 0.365% 2426446 2012326 10684393 0-2 0.995 18.40 41.0 91 95 95 99 364 21.8 0.852 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1072 Fructose 18.9406 1856.0 2.7 scans 82% 73 m/z 0.60% 0.0765% 1222 1.0 234 165160 0.0829% 2241674 2165591 2426675 1-1 20: 73 103 307 217 147 308 218 277 133 309 205 104 189 74 117 364 89 148 219 191 0.998 19.03 -7.0 92 91 92 91 364 21.8 0.867 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1018 Fructose 19.0584 1864.9 2.8 scans 57% 73 m/z (81) 0.82% 0.0633% 1233 1.1 198 120579 0.114% 1854015 1511697 3337043 2-10 20: 73 103 307 217 147 308 218 277 309 89 104 364 262 74 205 133 148 219 189 117 0.995 18.52 40.6 87 93 94 98 364 19.5 0.969 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0974 1867.9 3.0 scans 97% TIC 0.18% 0.699% 1237 0.6 648 537479 20467278 19851154 1-1 1.000 18.58 39.5 93 96 98 99 278 87.5 1.823 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN BRA4_R~2-N1004 Galactose 19.2605 1880.4 2.6 scans 79% 73 m/z 0.70% 0.0701% 1252 0.9 231 142793 0.122% 2054012 1933965 3571222 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 189 229 133 148 157 161 207 218 0.997 19.36 -7.7 95 94 92 96 364 14.3 0.381 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9044 1931.1 2.8 scans 22% 299 m/z (204) 4.5% 0.0197% 1313 1.2 113 22177 576874 507482 5-2 10: 299 132 145 300 231 146 301 61 76 314 0.865 19.97 -5.5 80 80 62 97 314 10.7 0.907 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9107 1931.6 2.6 scans 72% 204 m/z 0.51% 0.0625% 1314 1.0 217 193450 1831567 1699945 2-2 14: 204 217 205 159 206 218 189 191 160 219 305 291 203 243 0.946 19.91 -0.1 96 94 93 97 361 9.1 0.174 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2737 1960.7 2.6 scans 36% 204 m/z 2.4% 0.0112% 1348 1.2 92 40536 328059 328059 0-0 9: 204 191 205 217 206 192 218 189 193 0.992 20.41 -11.3 84 84 83 84 217 23.3 6.362 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7861 2002.0 2.9 scans 95% TIC 0.16% 0.800% 1397 0.8 739 615147 0.822% 23421277 22251603 24061840 1-7 0.999 20.27 41.8 82 82 94 98 322 49.0 0.439 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1038 C16:0 21.1523 2032.8 3.2 scans 98% 313 m/z 0.027% 3.21% 1432 0.5 1390 3665269 94203079 94196166 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 269 1.000 20.62 44.5 94 99 99 100 328 157.4 1.284 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6595 2075.4 2.7 scans 61% 305 m/z 1.4% 0.0440% 1480 1.1 180 66726 1288865 1179620 3-1 18: 305 217 147 318 191 306 265 319 218 307 320 432 367 148 192 433 291 219 0.907 21.75 -7.5 94 94 82 94 507 12.5 0.482 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9551 2100.3 3.4 scans 67% TIC 2.3% 0.0390% 1508 0.9 158 43107 0.101% 1142265 1030784 2956503 1-1 0.953 22.33 -32.7 93 96 90 97 342 19.1 1.464 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1040 Phytol 22.6159 2158.0 3.3 scans 90% 143 m/z 0.087% 0.359% 1571 1.0 461 1139231 10514162 9699374 5-1 19: 143 73 75 144 123 81 57 55 124 145 95 69 103 97 82 83 96 74 67 0.997 22.08 46.5 80 82 90 96 181 0.0 0.000 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1862 2208.2 7.0 scans 93% 79 m/z 0.041% 8.61% 1625 0.2 1563 2414126 9.15% 252293667 238027415 267841644 0-8 20: 79 75 73 95 93 108 67 81 91 107 129 80 121 94 55 117 77 122 145 109 0.997 23.12 6.4 96 95 98 95 350 115.3 0.545 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1036 C18:0 23.4040 2228.1 2.7 scans 91% 341 m/z 0.12% 0.596% 1646 0.9 664 788447 17474970 16922655 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 201 343 74 116 297 0.998 22.89 46.3 93 99 98 99 356 84.1 1.606 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1018 myo-Inositol 25.2148 2397.3 3.5 scans 77% TIC 0.41% 0.223% 1818 1.1 362 243701 0.303% 6555489 6369406 8869510 3-0 0.951 25.21 0.5 96 95 93 100 470 25.1 0.481 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6178 2437.1 3.3 scans 48% 91 m/z 0.55% 0.0543% 1856 1.2 177 180233 1590020 1404186 2-4 17: 91 117 194 207 92 208 115 193 65 312 104 118 51 178 78 179 128 0.946 25.61 0.8 96 96 96 98 312 20.8 1.381 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3754 2512.6 2.9 scans 73% TIC 0.25% 0.125% 1928 1.7 315 395299 0.167% 3666748 3574079 4888476 1-1 0.987 25.86 51.9 81 85 90 98 361 14.6 0.215 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5585 2531.6 3.0 scans 42% 512 m/z (218) 1.2% 0.0524% 1946 1.0 185 80157 1534457 1534008 0-1 15: 512 455 247 513 456 514 483 248 263 349 497 484 423 249 409 0.952 26.57 -1.5 93 95 84 96 512 58.7 10.075 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9341 2570.4 3.1 scans 91% 371 m/z 0.042% 1.32% 1981 0.7 924 2354442 38900017 37940760 1-2 20: 371 372 73 147 129 57 205 203 239 71 459 373 103 55 116 145 75 85 117 101 0.992 26.39 55.8 90 97 97 100 459 113.7 1.517 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1008 Sucrose 27.4234 2621.6 3.0 scans 37% 361 m/z (397) 0.82% 0.0679% 2028 1.0 210 120661 1989298 1886484 0-8 11: 361 362 437 363 271 451 438 439 452 272 364 0.910 27.59 -17.9 95 97 86 97 437 38.4 3.327 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN LQC1-N1010 Sucrose 27.4234 2621.6 3.0 scans 37% 361 m/z 0.82% 0.0653% 2028 1.0 211 120844 1914160 1815230 0-8 11: 361 362 437 363 271 451 438 439 452 272 364 0.859 27.58 -16.6 97 97 87 97 437 38.6 3.361 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6044 2640.9 3.7 scans 23% 99 m/z 1.4% 0.0544% 2045 1.7 173 69888 0.118% 1592745 1513397 3454133 2-0 15: 99 71 214 189 205 186 100 173 287 296 270 187 142 240 227 0.740 27.60 0.3 86 86 77 96 368 15.0 0.756 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6660 2757.1 >3 scans 32% TIC 1.6% 0.00709% 2146 1.6 127 61882 0.324% 207580 207580 9484229 0-0 0.948 28.69 -2.3 84 85 82 85 603 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7313 2764.5 2.9 scans 92% 399 m/z 0.066% 0.779% 2152 0.8 743 1510185 22830943 22157490 1-1 20: 399 400 73 147 129 57 205 203 103 55 401 71 487 116 145 75 85 101 117 69 1.000 28.19 60.6 89 98 98 100 487 92.7 1.561 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN SQUALENE-N1017 Squalene STD 29.0859 2804.4 3.5 scans 52% TIC 0.77% 0.0329% 2186 1.6 182 129157 0.0436% 964526 964526 1276273 0-0 0.981 29.09 -0.7 88 88 93 88 410 9.0 0.243 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1034 Nonacosane 29.5152 2852.7 2.9 scans 85% 57 m/z 0.15% 0.326% 2227 0.9 475 645088 9547289 9258291 1-1 20: 57 71 85 55 99 69 56 83 365 97 113 70 127 111 84 141 393 364 155 98 0.998 29.50 1.2 94 91 97 99 408 16.6 0.121 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8424 2889.5 2.9 scans 88% 57 m/z 0.10% 0.470% 2258 0.8 572 943222 13781063 13086212 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 72 0.999 29.83 1.8 96 93 98 100 408 35.1 0.378 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4211 2957.6 >5 scans 68% TIC 0.54% 0.161% 2313 0.7 311 183928 0.491% 4728273 4705167 14372705 3-0 0.860 30.36 7.5 86 87 88 88 529 11.5 0.138 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4695 2963.4 3.0 scans 77% 57 m/z 0.18% 0.269% 2317 0.9 426 533213 0.276% 7877092 7642458 8079158 3-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 84 141 365 58 0.997 30.46 0.8 99 98 99 100 393 95.6 5.030 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2145 3051.8 3.1 scans 79% 57 m/z 0.14% 0.370% 2388 0.9 497 678415 10836335 10537518 6-0 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 58 155 421 394 0.991 31.21 0.3 97 95 99 100 393 72.4 2.123 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1048 Hentriacontane 31.5270 3089.0 3.2 scans 80% 57 m/z (473) 0.070% 0.848% 2418 0.7 723 1409594 24831880 24542613 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 125 0.999 31.53 -0.5 97 98 100 99 436 41.7 0.332 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8195 3123.7 2.8 scans 74% 502 m/z 0.11% 0.384% 2446 0.9 515 885385 11248306 10726958 1-1 14: 502 237 503 73 236 504 238 277 221 223 208 239 505 193 0.983 31.79 3.3 100 99 97 99 502 249.4 23.506 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9499 3139.2 3.2 scans 64% 329 m/z 0.24% 0.692% 2458 0.8 647 400483 20259664 18263325 1-3 18: 329 129 368 353 458 95 81 107 330 121 145 105 119 328 369 93 91 131 0.893 31.87 9.8 93 93 89 97 458 95.4 2.175 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1004 Campesterol 32.7843 3238.3 3.7 scans 62% 343 m/z (217) 0.42% 0.488% 2537 0.8 491 237392 0.572% 14300714 13237830 16743762 0-1 17: 343 129 382 472 367 95 107 344 121 383 119 105 342 93 91 473 120 0.980 32.21 68.2 81 95 93 96 472 69.9 2.032 0.574 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1046 Stigmasterol 32.9916 3262.9 3.5 scans 79% TIC 0.12% 1.32% 2557 0.6 920 773241 1.97% 38867498 36064062 57666452 0-2 0.968 32.98 1.1 95 94 95 97 665 10.5 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3599 3306.6 3.1 scans 77% 99 m/z 0.16% 0.736% 2592 0.9 693 590269 1.54% 21553354 20626865 45079359 2-3 18: 99 217 361 189 199 71 437 529 362 169 103 438 218 173 287 530 363 271 0.994 33.38 -2.3 100 99 99 99 529 119.2 2.954 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN WTF2-N1034 b-Sitosterol 33.4904 3322.1 3.7 scans 84% 129 m/z 0.15% 1.27% 2605 0.5 837 645417 1.86% 37391181 36114544 54446498 1-3 20: 129 357 396 486 381 73 95 121 75 107 119 358 397 57 81 145 105 356 55 159 0.999 32.88 72.8 86 98 98 99 486 120.1 2.059 0.613 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6019 3335.4 3.1 scans 70% 386 m/z (99) 0.31% 0.676% 2615 0.8 637 315537 19789446 18119956 1-4 14: 386 296 55 281 387 119 257 95 107 105 93 121 159 371 0.989 33.58 2.1 91 90 93 98 505 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8944 3370.1 3.1 scans 21% 441 m/z 0.82% 0.0410% 2643 0.9 160 121325 1201967 1169667 1-0 8: 441 442 308 646 443 647 329 427 0.961 33.80 11.7 94 94 86 94 646 26.5 2.738 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5825 3451.8 3.8 scans 25% 596 m/z 0.57% 0.137% 2708 1.1 264 173761 4019509 3803359 1-1 12: 596 597 598 316 599 318 302 315 356 303 300 301 0.932 34.47 13.1 95 93 66 99 596 110.5 17.565 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN EXBLK5S-N1006 Contamination 6.3689 1048.1 2.0 scans 72% 207 m/z 0.65% 0.0217% 27 0.9 172 152015 0.0248% 789256 765256 900013 1-1 17: 207 73 295 208 209 296 191 297 279 193 247 177 189 210 192 265 119 0.980 6.63 -15.2 98 97 94 98 295 55.4 10.411 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.9486 1082.5 >25 scans 20% 73 m/z 13% 0.00203% 82 0.7 45 7661 0.0273% 73730 73730 990741 0-0 1: 73 0.879 6.82 7.6 81 80 77 90 295 0.0 0.000 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9093 1139.4 2.8 scans 53% 147 m/z 3.7% 0.00455% 173 2.0 73 26991 0.0799% 165334 165334 2899640 0-0 7: 147 73 148 66 72 149 74 0.913 7.79 6.8 84 87 78 87 219 7.5 1.061 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1192 Contamination 8.0692 1148.9 2.5 scans 95% TIC 0.26% 0.149% 188 1.0 352 376754 0.178% 5438148 4776177 6459774 11-1 1.000 7.99 4.7 97 96 97 97 235 71.8 4.152 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1026 Cadaverine NC 8.1292 1152.5 >4 scans 46% TIC 6.8% 0.00164% 194 1.1 54 14594 0.104% 59845 59845 3774250 0-0 0.974 7.74 23.3 90 91 78 93 216 11.1 4.264 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1188 Contamination 8.3154 1163.5 2.2 scans 75% 281 m/z 1.5% 0.0175% 212 1.1 139 63822 637139 623351 0-1 18: 281 147 369 282 370 283 371 265 207 148 249 149 191 193 266 284 267 133 0.949 8.41 -5.9 98 97 80 99 369 40.4 8.494 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1186 Phosphate 8.5848 1179.5 2.4 scans 95% 241 m/z 0.086% 0.215% 237 1.1 457 1157237 7834457 7463873 1-1 20: 241 242 133 73 211 163 243 256 135 195 98 59 89 147 137 119 164 134 121 257 1.000 8.56 1.5 100 99 99 100 299 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1180 Benzoic acid 9.7380 1247.2 2.7 scans 33% 179 m/z 4.3% 0.00650% 347 1.1 76 23126 0.00744% 235951 213513 270004 3-1 9: 179 105 135 77 180 194 51 181 67 0.790 9.76 -1.3 88 86 82 95 194 10.3 1.875 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN VEN77_S6-N1002 Glycerol 10.1010 1268.5 5.4 scans 92% 299 m/z 0.011% 4.41% 382 0.3 1436 8694118 160272248 158014157 0-1 20: 299 73 300 314 147 133 283 207 117 103 211 193 191 135 74 225 75 148 131 59 0.976 10.09 0.5 98 97 94 98 299 775.7 29.312 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7155 1304.5 5.4 scans 85% TIC 0.93% 0.0519% 440 1.2 207 107314 0.172% 1884700 1859775 6242029 0-2 0.992 10.73 -1.1 97 95 92 99 209 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0564 1325.1 2.5 scans 43% 184 m/z 6.3% 0.00491% 472 1.0 69 15781 178404 178404 0-0 10: 184 134 285 174 86 100 185 59 227 135 0.980 11.06 -0.4 89 90 79 90 285 22.6 10.855 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1162 Fumaric acid 11.3184 1340.8 2.2 scans 35% 245 m/z 5.6% 0.00267% 497 1.1 54 17599 0.00293% 96902 96902 106332 0-0 4: 245 246 143 247 0.828 11.39 -4.5 91 92 76 92 245 34.9 41.972 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4205 1347.0 3.0 scans 23% 57 m/z 0.38% 0.0699% 507 0.8 233 258114 0.0962% 2538715 2537384 3491181 1-0 19: 57 97 115 145 127 129 69 59 111 109 128 71 72 58 98 87 201 114 113 1.000 11.45 -1.5 91 91 87 92 145 68.5 8.661 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4710 1350.0 3.4 scans 96% 84 m/z 0.015% 1.89% 512 0.4 1139 6398304 68801295 68544349 1-0 20: 84 133 162 161 119 92 118 82 130 85 51 65 78 134 117 55 63 91 163 120 0.999 10.96 31.0 94 95 96 98 161 300.3 6.959 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1146 Malic acid 13.4807 1474.3 2.5 scans 97% 73 m/z 0.071% 0.403% 703 0.9 625 1390207 14659340 14636475 1-0 20: 73 147 233 245 133 189 190 148 75 74 191 175 335 149 101 55 234 217 131 59 0.998 13.62 -8.5 100 99 98 99 350 15.6 0.063 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9752 1505.7 2.9 scans 32% 156 m/z 3.1% 0.00547% 750 0.9 67 31452 198731 198731 0-0 5: 156 157 258 230 158 0.989 14.11 -9.0 91 91 84 91 273 0.0 0.000 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2888 1526.5 2.7 scans 47% 263 m/z (73) 0.76% 0.0177% 780 1.0 124 130043 644728 644728 0-0 12: 263 264 278 265 279 175 207 335 191 135 280 151 0.977 14.33 -2.5 91 92 69 95 278 38.3 9.549 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1044 Dodecanol 14.7370 1556.2 2.6 scans 69% 243 m/z 1.5% 0.0183% 822 1.0 130 64561 665500 627007 1-1 13: 243 244 103 89 97 101 61 245 111 115 59 76 74 0.990 14.24 32.8 92 94 90 96 243 66.8 26.483 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN TAB_REP6-N1042 Ribose 15.9902 1641.2 2.4 scans 52% 103 m/z (257) 8.1% 0.00366% 941 1.1 58 12307 0.00545% 133019 118282 197785 1-0 5: 103 307 189 160 308 0.932 16.10 -7.8 84 87 74 87 307 19.8 11.492 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1114 Xylose 15.9902 1641.2 2.4 scans 44% 103 m/z 10% 0.00294% 941 1.1 54 9979 0.00437% 106685 94866 158591 1-0 5: 103 307 189 160 308 1.000 16.06 -5.1 83 84 77 84 307 19.9 13.877 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1985 1655.7 2.7 scans 46% 290 m/z (195) 1.0% 0.0168% 961 1.8 115 92399 612159 610968 0-1 9: 290 291 292 392 144 393 293 115 100 0.972 16.28 -5.4 95 97 87 97 392 18.0 2.456 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5510 1680.1 2.9 scans 69% 55 m/z 1.8% 0.0214% 995 1.4 131 52939 0.0428% 776961 693599 1553249 0-4 18: 55 83 97 56 70 69 84 111 82 98 113 68 140 67 54 96 168 110 0.997 16.63 -5.3 89 88 90 88 210 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1010 Glycerol-P 17.4927 1747.9 3.0 scans 97% 357 m/z 0.032% 2.18% 1084 0.6 1334 3105229 79473950 79153427 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 129 256 133 387 218 328 1.000 16.97 38.4 96 99 99 99 445 209.3 2.461 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5622 1752.9 2.5 scans 63% 217 m/z 0.90% 0.0325% 1091 1.1 175 110974 0.328% 1179835 1179835 11903404 0-0 12: 217 218 147 219 450 191 232 305 451 148 257 452 0.989 17.63 -5.1 86 85 78 87 450 24.2 1.913 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN TAB_REP6-N1048 Citric acid 18.2503 1803.3 2.6 scans 45% 273 m/z 3.1% 0.0133% 1156 1.0 113 31264 0.0143% 485305 459026 518959 0-1 15: 273 375 363 274 347 465 275 211 156 364 221 257 348 183 376 0.918 18.24 0.5 83 79 75 93 465 14.4 1.624 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4397 1817.7 4.3 scans 95% 73 m/z 0.030% 2.98% 1174 0.5 1301 3296215 108421973 106968128 1-0 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 66 213 90 133 77 121 0.993 17.91 39.5 95 99 98 100 327 123.2 0.897 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1012 Phytol 18.5807 1828.5 3.7 scans 96% 68 m/z 0.062% 1.80% 1187 0.5 1088 1595682 2.11% 65588182 63520408 76573726 3-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 40.4 94 98 99 99 278 65.0 0.357 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1016 Hexadecene 18.6386 1832.9 2.8 scans 89% TIC 0.21% 0.245% 1193 1.2 456 469420 4.84% 8917462 8279750 175647787 0-2 0.988 18.10 40.5 84 85 94 97 280 66.6 2.139 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6596 1834.5 2.6 scans 42% 285 m/z 1.3% 0.0299% 1195 1.1 170 71740 1086450 1032890 1-1 15: 285 117 132 129 286 145 118 287 300 201 116 241 61 130 257 0.996 18.73 -5.2 95 95 82 95 300 16.9 0.991 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1002 Phytol 18.8min 18.8658 1850.3 2.8 scans 93% 81 m/z 0.34% 0.286% 1215 1.0 477 288677 0.294% 10394472 9441266 10669514 1-7 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 124 109 97 53 110 56 278 0.997 18.84 2.0 100 99 99 99 278 53.9 1.273 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1072 Fructose 18.9532 1856.9 2.7 scans 91% 73 m/z 0.16% 0.225% 1223 1.0 457 599556 8194314 7876490 1-1 20: 73 103 307 217 147 308 133 277 218 74 309 205 104 189 117 89 364 148 219 172 0.997 19.03 -6.1 97 96 97 96 364 43.0 0.885 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1070 Fructose 19.0721 1866.0 2.6 scans 85% 73 m/z 0.20% 0.177% 1234 1.1 409 490204 6457553 6168762 1-2 20: 73 103 217 307 147 308 218 277 74 309 205 104 133 89 364 262 117 189 219 148 0.998 19.19 -9.3 94 93 94 93 554 17.7 0.187 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1131 1869.1 2.8 scans 95% 81 m/z 0.15% 0.571% 1238 0.8 707 653919 20747915 20044224 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 124 109 278 111 56 53 0.999 18.58 40.7 92 96 98 99 278 94.2 1.773 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1068 Galactopyranose 19.2236 1877.5 >3 scans 57% TIC 1.1% 0.0118% 1249 1.1 139 84595 0.665% 429900 429900 24133425 0-0 0.988 19.32 -7.0 89 88 89 89 435 8.6 0.381 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1064 Mannose 19.2751 1881.5 2.7 scans 91% 73 m/z 0.17% 0.255% 1253 0.9 468 576492 0.408% 9270522 9270522 14806673 0-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 148 189 207 161 129 157 0.986 19.45 -13.7 98 97 96 97 319 167.9 12.853 -0.180 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN BRA4_R~2-N1004 Galactose 19.5213 1900.3 3.0 scans 80% 73 m/z 0.71% 0.0764% 1277 1.0 257 140082 0.123% 2773756 2773756 4463776 0-0 20: 73 319 205 160 147 88 320 103 71 217 57 102 321 85 206 133 89 229 74 99 0.989 19.36 12.2 90 89 76 91 364 0.0 0.000 0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9254 1932.7 3.2 scans 85% TIC 0.30% 0.146% 1315 1.2 299 330573 0.166% 5309108 4542363 6024284 1-2 0.996 19.91 1.0 96 93 95 98 361 13.8 0.212 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2884 1961.9 2.8 scans 64% 204 m/z 0.68% 0.0406% 1350 1.1 189 146510 1475302 1368724 3-1 16: 204 191 147 205 217 206 192 218 189 193 148 103 219 207 435 291 0.990 20.41 -10.1 92 91 91 91 217 43.8 5.398 -0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8061 2003.7 3.0 scans 94% 75 m/z 0.13% 0.792% 1399 0.8 810 737967 0.834% 28769928 27640474 30266582 2-2 20: 75 73 79 67 93 95 91 129 80 108 55 81 94 117 307 121 77 107 135 145 0.999 20.27 43.5 82 82 94 98 322 55.3 0.466 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1038 C16:0 21.1733 2034.6 3.6 scans 98% 117 m/z 0.023% 3.24% 1434 0.4 1479 4174804 117794271 117790873 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 118 328 57 69 74 201 315 116 269 1.000 20.62 46.3 94 99 99 100 328 168.6 1.301 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6731 2076.6 2.8 scans 77% 305 m/z (79) 0.66% 0.100% 1481 1.0 285 150455 3647371 3518621 2-1 18: 305 217 147 318 191 306 319 265 218 204 307 320 432 367 433 192 219 148 0.988 21.75 -6.3 95 96 94 96 507 18.1 0.404 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9740 2101.9 3.6 scans 64% TIC 1.8% 0.0416% 1510 0.8 177 54383 0.120% 1511246 1413566 4354904 0-2 0.949 22.33 -31.1 94 96 92 97 342 20.6 1.351 -0.356 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4086 2139.9 3.1 scans 20% 204 m/z 4.3% 0.00468% 1551 1.2 63 22782 169924 153141 3-1 4: 204 249 205 206 0.882 22.71 -26.6 83 87 76 86 518 0.0 0.000 -0.305 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1040 Phytol 22.6306 2159.3 3.8 scans 88% 143 m/z 0.083% 0.346% 1572 1.2 466 1202522 12587773 11862241 3-7 17: 143 73 75 144 123 81 55 124 145 95 103 82 97 67 74 83 96 0.996 22.08 47.8 80 82 90 96 181 0.0 0.000 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 7.5 scans 92% 79 m/z 0.035% 7.92% 1628 0.2 1658 2791065 8.88% 287689153 287481547 322262883 0-1 20: 79 75 73 95 67 93 108 81 80 91 335 107 55 94 129 121 77 135 149 117 0.997 23.12 8.8 96 95 98 95 350 118.3 0.509 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1036 C18:0 23.4239 2229.9 2.7 scans 89% 341 m/z 0.10% 0.564% 1648 0.8 704 925640 20502731 19375763 2-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 0.998 22.89 48.1 93 99 98 99 356 90.7 1.659 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1605 2297.2 3.4 scans 32% 204 m/z (333 355) 0.82% 0.0353% 1718 0.9 154 121039 0.0476% 1282819 1235258 1727445 0-5 17: 204 217 205 337 147 103 206 219 338 191 361 218 101 339 243 203 221 0.939 24.01 13.7 84 89 83 90 490 0.0 0.000 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1605 2297.2 3.4 scans 29% 204 m/z 0.85% 0.0280% 1718 0.9 146 116499 0.0378% 1018034 980290 1371795 0-5 17: 204 217 205 337 147 103 206 219 338 191 361 218 101 339 243 203 221 0.640 24.18 -1.9 88 89 69 91 581 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1018 myo-Inositol 25.2327 2399.0 4.1 scans 69% TIC 0.42% 0.179% 1820 1.2 340 236041 0.275% 6522561 6517768 9979988 1-0 0.909 25.21 2.2 96 94 92 100 470 22.4 0.433 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6388 2439.2 3.7 scans 35% 91 m/z 0.74% 0.0351% 1858 1.3 153 133868 0.0447% 1274674 1207607 1622202 4-4 15: 91 117 194 207 92 115 208 65 312 104 51 178 179 63 102 0.874 25.61 2.9 94 95 95 96 312 18.3 1.436 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5774 2533.5 >3 scans 37% TIC 0.92% 0.0263% 1947 1.2 204 108090 0.171% 955264 955264 6205738 0-0 0.957 26.57 0.4 93 92 81 94 512 61.9 9.190 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9520 2572.2 3.1 scans 89% TIC 0.032% 1.29% 1983 0.8 1060 3079099 1.52% 47083718 46351859 55162115 2-2 0.988 26.39 57.6 89 96 96 100 459 130.0 1.509 0.558 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN LQC1-N1008 Sucrose 27.4360 2622.9 3.0 scans 58% 361 m/z 0.17% 0.259% 2029 1.1 461 573058 9431947 9051162 1-2 10: 361 362 437 363 271 451 438 439 364 452 0.963 27.59 -16.6 98 97 94 99 437 84.1 3.331 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6839 2759.2 >3 scans 35% TIC 1.0% 0.0106% 2148 1.0 161 92002 0.364% 388172 388172 13209875 0-0 0.951 28.69 -0.2 88 88 89 89 603 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7491 2766.5 3.1 scans 90% 399 m/z 0.055% 0.801% 2154 0.8 797 1796966 29098920 26801200 4-1 20: 399 400 73 147 129 57 205 203 103 487 401 55 71 116 145 117 75 101 267 85 0.999 28.19 62.6 88 98 97 100 487 101.8 1.631 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN SQUALENE-N1017 Squalene STD 29.1027 2806.3 3.9 scans 57% TIC 0.52% 0.0377% 2187 1.5 216 190207 0.0510% 1370743 1370743 1850834 0-0 0.983 29.09 1.2 88 88 94 88 410 10.2 0.224 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1034 Nonacosane 29.5362 2855.0 3.0 scans 85% 57 m/z 0.11% 0.399% 2229 0.8 565 903936 14480248 13784802 2-1 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 141 84 366 393 155 364 0.999 29.50 3.5 93 90 97 98 408 21.1 0.140 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8602 2891.5 3.3 scans 89% 57 m/z 0.10% 0.460% 2259 0.8 585 988981 16710695 16685856 0-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 98 141 155 58 112 86 0.999 29.83 3.8 95 92 98 100 408 37.7 0.416 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1038 Hexacosanol 30.1969 2931.0 3.4 scans 2.6% 439 m/z 12% 0.00143% 2291 1.2 33 8330 0.00312% 52197 52197 113227 0-0 2: 439 440 0.608 30.17 2.9 84 94 41 93 439 24.0 54.236 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4358 2959.4 4.4 scans 56% 73 m/z 0.58% 0.125% 2314 0.8 296 170653 4549633 4387252 1-1 20: 73 427 147 411 103 206 117 428 133 412 74 75 148 101 516 104 189 149 230 157 0.932 30.36 9.3 86 86 87 87 529 11.3 0.147 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4884 2965.6 3.2 scans 80% 57 m/z 0.14% 0.305% 2319 0.9 484 683740 0.313% 11085180 10638323 11359041 4-1 20: 57 71 85 56 393 55 69 99 83 97 70 113 392 394 127 111 84 141 58 365 0.998 30.46 3.0 99 97 99 100 393 111.0 5.261 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2334 3054.1 3.0 scans 82% 57 m/z 0.10% 0.414% 2390 0.8 587 937777 15033788 14132854 2-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 394 421 98 0.994 31.21 2.6 99 98 99 100 393 88.9 2.296 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1048 Hentriacontane 31.5427 3090.8 3.3 scans 72% 57 m/z (199) 0.071% 0.757% 2419 0.8 721 1399456 0.865% 27496163 26190968 31391598 1-4 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 82 126 0.991 31.53 1.3 95 96 98 99 436 41.8 0.336 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8363 3125.7 3.0 scans 73% 502 m/z 0.10% 0.335% 2447 0.9 523 937477 12172931 11965833 1-0 16: 502 237 503 73 236 238 504 277 221 223 208 239 505 74 193 262 0.973 31.79 5.3 100 99 97 100 502 254.7 23.700 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9646 3140.9 4.6 scans 88% 73 m/z (217) 0.20% 1.09% 2459 0.8 745 486874 1.56% 39777963 36022535 56613750 2-0 20: 73 57 147 74 189 246 171 201 229 331 179 273 241 191 176 59 216 72 205 551 0.986 31.87 11.5 93 93 93 97 458 104.3 1.959 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1046 Stigmasterol 33.0095 3265.0 3.2 scans 84% TIC 0.12% 1.24% 2559 0.6 996 815497 2.00% 45256877 42815052 72581730 0-2 0.984 32.98 3.2 93 92 96 95 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3756 3308.5 3.2 scans 79% 99 m/z 0.15% 0.696% 2594 0.8 732 657795 0.754% 25291592 23754632 27363312 1-1 20: 99 217 361 189 73 71 199 437 529 362 169 103 438 173 218 287 530 147 271 363 0.994 33.38 -0.4 100 99 99 99 529 125.8 2.959 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN WTF2-N1034 b-Sitosterol 33.5103 3324.5 3.8 scans 83% 129 m/z 0.14% 1.11% 2606 0.5 852 673072 40629216 39640715 2-1 20: 129 357 396 381 73 95 107 397 75 119 121 57 358 81 145 105 356 55 159 93 0.998 32.88 75.2 85 98 98 99 486 123.2 2.090 0.633 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6197 3337.5 3.2 scans 60% 386 m/z (99) 0.39% 0.452% 2617 0.9 563 253115 16421718 15168442 1-5 10: 386 296 281 387 119 257 107 105 121 371 0.981 33.58 4.2 91 91 93 97 505 5.8 0.011 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9133 3372.4 3.5 scans 15% 441 m/z 1.2% 0.0247% 2645 1.0 131 82296 899001 879523 1-0 5: 441 442 646 308 647 0.922 33.80 14.0 92 93 83 94 646 21.4 2.683 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6067 3454.7 3.9 scans 32% 596 m/z 0.50% 0.0841% 2711 0.9 228 196871 3055354 2942276 1-0 16: 596 597 598 331 316 599 302 356 315 318 303 332 342 300 370 286 0.959 34.47 16.0 97 96 90 99 596 116.7 26.180 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN EXBLK5S-N1006 Contamination 6.3740 1048.4 2.3 scans 67% 207 m/z 0.63% 0.0260% 27 1.2 168 157730 0.0361% 957927 957420 1325962 0-1 20: 207 295 208 73 209 296 191 297 279 193 189 133 177 74 210 192 247 119 263 280 0.989 6.63 -14.9 98 97 91 98 295 54.0 10.325 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9313 1140.7 >7 scans 50% 147 m/z 3.9% 0.00667% 175 2.9 68 25586 0.143% 245130 245130 5252427 0-0 6: 147 73 148 66 149 74 0.896 7.79 8.1 85 86 81 91 219 6.8 0.996 0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1192 Contamination 8.0944 1150.4 2.3 scans 97% 147 m/z 0.11% 0.285% 191 0.9 531 892801 0.312% 10502276 10403136 11459840 0-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 100 103 149 75 131 134 236 1.000 7.99 6.2 97 96 97 97 235 109.2 4.229 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1188 Contamination 8.3174 1163.6 2.7 scans 76% TIC 1.7% 0.0179% 212 1.4 128 57410 0.0291% 659909 629338 1068850 0-2 0.896 8.41 -5.8 98 97 80 99 369 37.5 8.516 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1186 Phosphate 8.6015 1180.5 2.2 scans 89% TIC 0.43% 0.0378% 239 1.6 190 228853 0.0729% 1392044 1179946 2677636 2-1 0.994 8.56 2.5 100 99 96 99 299 0.0 0.000 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN VEN77_S6-N1002 Glycerol 10.1114 1269.1 5.9 scans 95% 299 m/z 0.011% 4.97% 383 0.3 1422 8624959 182897158 182769251 1-0 20: 299 73 300 314 301 147 133 205 283 207 315 211 193 191 135 103 117 74 225 218 0.987 10.09 1.1 98 96 93 98 299 745.9 27.645 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7217 1304.9 6.1 scans 89% TIC 1.0% 0.0544% 441 1.0 194 98010 0.115% 1998987 1984048 4223979 0-1 1.000 10.73 -0.7 96 94 94 99 209 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0595 1325.3 2.6 scans 83% TIC 1.4% 0.0295% 473 0.6 155 71315 0.0484% 1083832 1080208 1777744 0-1 0.980 11.06 -0.2 98 97 94 99 285 46.7 9.058 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4214 1347.0 3.1 scans 30% 57 m/z 0.42% 0.0683% 507 0.7 216 237096 0.0890% 2510477 2364632 3268993 3-0 20: 57 97 115 145 127 129 69 111 109 59 128 72 71 98 58 87 201 113 114 96 1.000 11.45 -1.5 92 91 88 91 145 62.9 8.497 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4698 1350.0 3.4 scans 96% TIC 0.019% 1.58% 512 0.4 989 5247824 58293349 54222401 3-2 0.995 10.96 31.0 94 95 96 98 161 261.7 7.014 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN TAB_REP6-N1026 Malic acid 13.4732 1473.8 2.7 scans 88% TIC 0.67% 0.0572% 702 1.0 216 148781 0.0688% 2101399 1862896 2527042 2-1 0.994 13.53 -3.8 91 89 84 92 335 23.5 1.181 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9709 1505.4 2.9 scans 37% 156 m/z 3.4% 0.00469% 749 1.0 60 28997 172443 172443 0-0 5: 156 157 258 230 158 0.962 14.11 -9.3 87 87 79 90 273 0.0 0.000 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1044 Dodecanol 14.7337 1556.0 2.6 scans 77% 243 m/z 1.0% 0.0240% 822 1.0 147 97991 884128 848439 1-1 14: 243 75 244 103 89 97 83 245 101 61 76 111 59 115 0.995 14.24 32.6 94 96 95 98 243 79.5 29.281 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1931 1655.3 2.8 scans 51% 290 m/z (195) 1.1% 0.0180% 960 1.8 109 88494 663354 663354 1-0 7: 290 291 292 392 144 293 393 0.984 16.28 -5.8 96 97 88 98 392 17.6 2.603 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5467 1679.8 2.8 scans 84% 55 m/z 0.79% 0.0498% 994 1.2 206 126253 0.0703% 1832213 1760715 2582137 4-0 19: 55 69 83 73 56 97 70 84 111 82 98 68 127 113 140 96 54 125 67 1.000 16.63 -5.6 96 95 97 95 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1010 Glycerol-P 17.4884 1747.5 2.9 scans 98% 357 m/z 0.032% 2.09% 1084 0.5 1269 3095079 76953318 75659990 0-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 387 103 101 256 133 129 218 328 1.000 16.97 38.0 96 99 98 99 445 202.3 2.542 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5568 1752.5 3.1 scans 69% TIC 0.67% 0.0542% 1090 2.1 191 148548 1.63% 1993979 1736978 59870317 0-4 0.923 17.63 -5.5 88 86 83 89 450 26.8 1.974 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN TAB_REP6-N1048 Citric acid 18.2449 1802.9 2.7 scans 31% 273 m/z (217) 6.0% 0.00741% 1156 1.2 78 16445 272288 272288 1-0 10: 273 363 274 347 375 156 465 211 275 364 0.906 18.24 0.1 83 85 74 89 465 11.0 1.986 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4385 1817.7 4.3 scans 95% TIC 0.027% 3.30% 1174 0.5 1312 3590821 5.79% 121453605 117191067 212668182 1-3 0.993 17.91 39.5 95 99 98 100 327 126.1 0.924 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1012 Phytol 18.5827 1828.7 3.7 scans 96% 68 m/z 0.050% 2.30% 1188 0.4 1175 1970257 2.55% 84634451 77822114 93662153 11-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 110 70 1.000 18.04 40.6 94 98 99 99 278 72.0 0.376 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1016 Hexadecene 18.6363 1832.7 2.7 scans 87% TIC 0.20% 0.253% 1193 1.2 449 494131 5.26% 9325159 8987644 193201146 0-1 0.974 18.10 40.3 84 85 95 97 280 67.3 2.253 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6563 1834.3 2.7 scans 44% 285 m/z 1.5% 0.0288% 1195 1.0 154 62838 1060263 1019978 1-1 14: 285 117 132 129 286 145 118 241 300 201 116 257 61 187 0.994 18.73 -5.4 95 95 82 95 300 15.1 0.955 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1002 Phytol 18.8min 18.8615 1849.9 2.6 scans 94% 82 m/z 0.31% 0.286% 1214 1.0 484 322353 10506978 9746462 1-11 20: 82 81 95 68 57 123 69 55 67 83 79 71 96 124 97 109 53 110 111 56 0.998 18.84 1.6 97 96 99 97 278 55.7 1.321 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1072 Fructose 18.9478 1856.5 2.7 scans 94% 73 m/z 0.11% 0.336% 1222 1.1 533 849199 12375129 12357375 1-0 20: 73 103 307 217 147 308 218 133 277 74 104 309 205 117 189 364 89 219 148 75 0.998 19.03 -6.5 98 97 98 97 364 50.6 0.900 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN TAB_REP6-N1052 Fructose 19.0677 1865.7 2.6 scans 84% 73 m/z 0.16% 0.244% 1234 1.0 452 619144 8975246 8679024 1-1 20: 73 103 307 217 147 308 277 218 309 205 74 364 89 133 262 104 117 189 219 148 0.998 19.10 -2.7 95 94 95 94 364 45.8 1.024 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1070 Fructose 19.0698 1865.8 >3 scans 88% TIC 0.15% 0.254% 1234 0.9 462 641302 1.35% 9344185 9207890 49585845 2-0 0.999 19.19 -9.5 95 94 95 95 554 20.3 0.193 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1098 1868.9 2.9 scans 98% TIC 0.14% 0.643% 1238 0.8 693 669469 0.844% 23647737 23647737 31000336 0-0 1.000 18.58 40.5 92 95 98 99 278 94.9 1.876 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1064 Mannose 19.2687 1881.0 2.6 scans 89% 73 m/z 0.22% 0.193% 1253 0.9 404 446788 7120736 6617002 7-1 20: 73 319 205 147 160 320 217 103 206 321 117 74 229 133 148 189 207 161 129 204 0.992 19.45 -14.2 98 97 96 97 319 146.2 13.061 -0.186 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1068 Galactopyranose 19.3423 1886.6 2.8 scans 56% 204 m/z 1.5% 0.0249% 1260 1.2 142 63630 916970 852441 1-2 6: 204 191 192 193 228 243 0.935 19.32 2.1 80 78 78 86 435 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN BRA4_R~2-N1004 Galactose 19.5149 1899.8 3.1 scans 72% TIC 1.0% 0.0518% 1276 1.1 197 96340 0.128% 1904392 1214124 4701473 4-0 0.985 19.36 11.7 93 92 81 93 364 0.0 0.000 0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9211 1932.4 3.2 scans 86% TIC 0.25% 0.152% 1315 1.1 309 391462 0.176% 5592547 4182718 6464525 0-3 0.994 19.91 0.7 95 92 94 98 361 13.2 0.182 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8018 2003.3 3.1 scans 95% TIC 0.14% 0.774% 1399 0.7 754 684928 0.835% 28449676 27868443 30669764 1-2 0.999 20.27 43.1 82 82 94 98 322 52.9 0.492 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1038 C16:0 21.1647 2033.8 3.7 scans 98% 117 m/z 0.026% 2.92% 1433 0.5 1342 3729301 107500343 106322080 1-0 20: 117 73 75 132 129 145 314 55 131 133 118 57 69 315 201 74 269 116 285 130 1.000 20.62 45.5 94 99 99 100 328 153.1 1.301 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6656 2075.9 5.7 scans 83% TIC 0.61% 0.0880% 1481 1.1 282 161776 0.345% 3235694 3235694 12671938 0-0 0.995 21.75 -7.0 97 96 94 96 507 17.2 0.375 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9665 2101.3 3.1 scans 54% 327 m/z 2.0% 0.0288% 1509 1.3 148 48250 1059011 994202 2-3 10: 327 117 132 328 145 342 329 283 146 343 0.935 22.33 -31.7 93 95 88 96 342 19.2 1.692 -0.363 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1040 Phytol 22.6242 2158.7 3.6 scans 90% TIC 0.077% 0.309% 1572 1.3 465 1282197 0.438% 11385386 11332450 16087852 0-1 0.997 22.08 47.2 81 82 90 96 181 8.0 0.029 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2123 2210.5 7.2 scans 93% 79 m/z 0.034% 8.48% 1628 0.2 1639 2890004 8.84% 311524998 287433225 324695462 0-8 20: 79 75 73 95 93 108 67 80 81 335 107 91 94 129 121 55 149 135 77 117 0.997 23.12 8.7 96 95 98 95 350 120.2 0.538 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1036 C18:0 23.4207 2229.6 2.8 scans 90% 341 m/z 0.090% 0.694% 1648 0.8 733 1102896 25523660 24487974 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 201 343 74 297 116 0.998 22.89 47.8 93 99 98 99 356 95.3 1.692 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7227 2257.2 2.7 scans 17% 163 m/z 1.1% 0.0145% 1676 1.2 110 84982 0.0179% 535726 500186 657472 3-0 6: 163 331 165 88 90 60 0.685 23.72 0.3 89 91 63 93 331 28.0 6.534 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1006 Androsterone 23.9078 2274.1 2.9 scans 46% 143 m/z 0.93% 0.0505% 1694 0.9 192 107222 0.0664% 1857102 1615132 2438889 6-0 8: 143 144 187 255 188 270 175 345 0.915 23.89 1.7 82 77 74 96 345 10.7 0.310 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1530 2296.5 3.3 scans 39% 204 m/z (333) 0.71% 0.0372% 1717 0.9 159 140065 0.0551% 1368706 1341004 2023837 1-2 17: 204 217 205 147 337 103 206 219 218 338 191 361 339 243 189 291 203 0.974 24.01 13.0 89 91 84 92 490 0.0 0.000 0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1530 2296.5 3.3 scans 35% 204 m/z 0.72% 0.0311% 1717 0.9 152 138356 0.0460% 1143294 1120154 1689592 1-2 17: 204 217 205 147 337 103 206 219 218 338 191 361 339 243 189 291 203 0.683 24.18 -2.6 90 91 70 92 581 0.0 0.000 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2456 2305.2 3.5 scans 61% 143 m/z 0.21% 0.0775% 1726 1.3 252 458068 0.192% 2849784 2678164 7052209 2-0 19: 143 73 144 75 156 145 272 155 170 219 74 130 127 115 279 257 362 273 149 0.982 24.23 1.4 96 95 93 96 362 16.4 0.424 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1018 myo-Inositol 25.2241 2398.2 3.4 scans 71% TIC 0.51% 0.144% 1819 1.2 313 195702 0.238% 5306798 5134147 8741801 2-0 0.956 25.21 1.4 96 94 92 100 470 21.5 0.471 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6334 2438.7 3.3 scans 44% 91 m/z 0.58% 0.0407% 1858 1.3 165 170062 0.0528% 1497038 1341594 1939358 5-4 16: 91 117 194 207 92 312 115 208 193 65 104 118 51 179 178 102 0.972 25.61 2.4 96 97 96 97 312 20.6 1.566 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5688 2532.6 2.8 scans 34% 512 m/z (218) 1.1% 0.0483% 1947 1.0 195 90600 1776896 1774223 0-1 17: 512 455 247 513 456 483 514 248 349 263 457 497 484 423 235 409 350 0.944 26.57 -0.5 93 95 85 96 512 63.5 10.606 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9487 2571.9 2.9 scans 91% 371 m/z 0.031% 1.28% 1983 0.6 1013 3209815 47185627 46199481 1-1 20: 371 372 73 147 129 205 57 203 239 373 459 55 103 116 71 85 145 75 117 101 0.989 26.39 57.3 90 97 97 100 459 127.9 1.600 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1010 Sucrose 27.4285 2622.1 2.9 scans 57% 361 m/z (397) 0.27% 0.169% 2028 1.0 354 368701 6238360 5977604 0-9 12: 361 362 437 363 271 451 438 169 439 364 452 272 0.981 27.58 -16.1 97 98 95 99 437 63.8 3.245 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1014 Sucrose 27.4285 2622.1 2.9 scans 55% 361 m/z 0.27% 0.155% 2028 1.0 346 368640 5710356 5471670 0-9 12: 361 362 437 363 271 451 438 169 439 364 452 272 0.949 27.49 -6.6 99 98 91 98 437 63.8 3.399 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN LQC1-N1008 Sucrose 27.4327 2622.6 4.1 scans 52% TIC 0.29% 0.134% 2029 1.7 348 341004 0.490% 4948256 4948256 17997825 0-0 0.841 27.59 -16.9 98 98 90 98 437 60.8 3.058 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6137 2641.9 3.7 scans 17% 99 m/z 1.5% 0.0378% 2046 1.6 157 65147 0.0999% 1389756 1387972 3669353 1-0 17: 99 71 189 296 186 173 287 100 368 270 288 215 142 240 269 187 227 0.713 27.60 1.3 82 83 75 93 368 13.4 0.723 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6764 2758.3 3.1 scans 21% 99 m/z 1.5% 0.0140% 2147 1.2 110 62623 0.0268% 515863 493606 984371 1-0 16: 99 283 189 171 100 385 185 287 269 387 184 273 196 288 286 271 0.909 28.69 -1.1 82 83 70 82 603 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7437 2765.9 2.9 scans 91% 399 m/z 0.051% 0.814% 2153 0.7 794 1952463 29903032 29185319 0-1 20: 399 400 73 147 129 57 205 203 401 103 487 55 71 116 145 117 75 267 85 101 1.000 28.19 62.0 88 97 97 100 487 101.3 1.631 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN SQUALENE-N1017 Squalene STD 29.0941 2805.3 3.1 scans 39% 69 m/z (204) 0.85% 0.0356% 2187 1.2 161 117135 1308126 1283673 1-1 18: 69 81 137 136 68 121 95 123 93 67 149 107 109 70 82 135 94 53 0.967 29.09 0.2 87 90 92 89 410 7.5 0.217 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1034 Nonacosane 29.5297 2854.3 3.0 scans 84% 57 m/z 0.10% 0.396% 2228 0.8 556 921607 14568466 14118515 2-3 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 84 141 393 155 366 364 0.997 29.50 2.8 93 89 97 98 408 21.4 0.148 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8548 2890.9 2.9 scans 89% 57 m/z 0.091% 0.438% 2259 0.8 598 1097099 16088914 15640898 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 169 0.999 29.83 3.2 95 92 98 100 408 37.8 0.399 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1038 Hexacosanol 30.1916 2930.4 3.2 scans 4.0% 439 m/z 6.9% 0.00227% 2291 1.1 40 14304 0.00381% 83669 83669 139942 0-0 2: 439 440 0.708 30.17 2.3 90 97 46 97 439 30.4 56.527 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4367 2959.5 3.4 scans 54% 193 m/z (204) 0.60% 0.149% 2314 1.2 306 166049 5482480 4882319 2-2 14: 193 119 105 163 120 91 194 176 171 515 247 325 106 158 0.976 30.36 9.4 81 82 87 86 529 12.4 0.164 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4851 2965.2 2.9 scans 83% 57 m/z 0.10% 0.391% 2319 0.8 556 940113 0.402% 14384203 13330003 14765563 4-1 20: 57 71 85 56 393 55 69 99 83 97 70 113 392 394 127 111 84 141 58 155 0.999 30.46 2.6 99 97 99 100 393 131.9 5.635 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2311 3053.8 3.1 scans 79% 57 m/z 0.11% 0.409% 2390 0.7 559 889887 15033146 14463712 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 421 98 394 0.992 31.21 2.3 97 95 98 100 393 85.4 2.333 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1048 Hentriacontane 31.5415 3090.7 3.4 scans 78% 57 m/z 0.065% 0.783% 2419 0.7 730 1528059 28766778 27987984 2-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 82 125 0.964 31.53 1.2 99 99 99 99 436 43.7 0.359 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8361 3125.7 2.9 scans 79% 502 m/z 0.078% 0.437% 2447 0.8 588 1269712 16079320 16062152 0-1 15: 502 237 503 73 236 504 238 277 221 223 208 239 74 505 193 0.986 31.79 5.3 100 99 98 100 502 286.2 23.711 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9698 3141.5 4.1 scans 78% TIC 0.16% 1.16% 2460 1.1 777 599030 42930259 39481246 2-0 0.959 31.87 12.1 94 93 92 97 458 112.1 2.083 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1046 Stigmasterol 33.0093 3265.0 3.4 scans 86% TIC 0.10% 1.43% 2559 0.6 1019 938049 1.86% 52765479 51661103 68318276 0-1 0.991 32.98 3.2 96 95 98 97 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3681 3307.6 3.3 scans 67% 99 m/z 0.20% 0.489% 2593 0.8 607 476717 1.07% 17984099 17631244 39301374 0-3 17: 99 217 361 189 437 71 199 529 362 438 169 173 287 218 530 439 363 0.986 33.38 -1.3 99 98 98 99 529 105.3 3.009 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN WTF2-N1034 b-Sitosterol 33.5049 3323.9 3.8 scans 82% TIC 0.14% 1.02% 2606 0.6 840 714052 2.20% 37607174 36195300 80806563 1-2 0.988 32.88 74.6 85 98 97 99 486 123.0 2.147 0.628 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6112 3336.5 3.1 scans 49% 386 m/z (99) 0.67% 0.245% 2616 1.0 419 147444 9010307 8565461 1-10 5: 386 296 387 281 371 0.973 33.58 3.2 89 89 92 97 505 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9069 3371.6 3.3 scans 6.5% 441 m/z 2.3% 0.0109% 2644 1.0 85 43419 400522 400522 0-1 6: 441 442 646 308 443 647 0.879 33.80 13.2 89 89 74 93 646 15.3 3.232 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2394 3411.1 3.9 scans 7.3% 99 m/z 2.8% 0.0139% 2676 1.8 95 35135 0.0290% 511015 506094 1065177 2-0 4: 99 499 500 169 0.855 34.22 2.4 83 84 64 88 499 30.4 10.220 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6013 3454.1 3.8 scans 20% 596 m/z 0.45% 0.0905% 2710 0.9 234 219514 3326534 3208446 1-2 15: 596 597 598 331 316 599 302 315 318 356 303 332 300 330 357 0.910 34.47 15.4 97 96 88 99 596 119.0 25.949 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN EXBLK5S-N1006 Contamination 6.3657 1047.9 2.2 scans 72% 207 m/z 0.64% 0.0260% 27 1.1 167 156492 994011 992370 0-2 15: 207 295 208 209 296 191 297 279 193 189 177 210 247 192 280 0.976 6.63 -15.4 97 96 88 97 295 54.1 10.564 -0.259 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1192 Contamination 7.9692 1143.0 2.3 scans 97% 73 m/z 0.061% 0.500% 179 0.9 710 1643540 19061601 18927286 3-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.996 7.99 -1.2 99 98 97 99 235 145.8 4.220 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1026 Cadaverine NC 8.1218 1152.0 2.2 scans 35% 174 m/z 8.0% 0.00160% 193 1.0 40 12607 61006 61006 1-0 5: 174 86 175 100 216 0.938 7.74 22.8 85 87 66 87 216 10.3 6.627 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1188 Contamination 8.3027 1162.8 2.4 scans 58% 281 m/z 2.4% 0.0120% 211 1.1 108 40734 458993 447056 1-1 14: 281 147 369 282 283 370 265 207 371 148 249 149 191 284 0.911 8.41 -6.6 95 94 75 97 369 31.3 8.362 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1186 Phosphate 8.4964 1174.2 2.2 scans 87% 241 m/z 0.56% 0.0269% 229 1.3 168 180028 1027109 977458 1-1 18: 241 242 163 256 133 211 243 195 135 59 98 89 165 119 137 134 225 257 0.996 8.56 -3.8 99 99 96 99 299 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN VEN77_S6-N1002 Glycerol 10.0368 1264.7 6.4 scans 99% 300 m/z 0.012% 4.83% 375 0.9 1345 8388096 184250892 183180109 1-0 20: 300 301 284 181 209 194 317 195 213 226 123 270 286 196 318 182 271 109 254 256 0.975 10.09 -3.3 98 97 94 98 299 723.2 29.043 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6649 1301.5 2.6 scans 74% 199 m/z 1.0% 0.0528% 435 1.0 212 98154 2015624 1913041 1-1 17: 199 75 117 145 132 129 200 131 67 81 118 61 76 53 155 68 95 0.826 10.73 -4.1 93 91 85 99 209 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0100 1322.3 2.5 scans 59% 184 m/z 4.9% 0.00648% 468 0.9 78 20553 247019 245672 2-0 11: 184 134 285 174 86 100 77 286 227 59 185 0.876 11.06 -3.2 92 92 85 93 285 24.3 9.568 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3783 1344.4 2.8 scans 18% 57 m/z 0.33% 0.0767% 503 1.0 243 301220 0.0896% 2924195 2676183 3414472 3-0 18: 57 97 115 145 127 129 69 59 111 109 128 72 71 98 87 201 114 113 0.992 11.45 -4.1 93 94 88 94 145 72.5 8.907 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4214 1347.0 4.0 scans 96% 84 m/z 0.017% 1.82% 507 0.4 1029 5826695 69563720 67637379 2-1 20: 84 133 162 161 119 92 85 118 82 65 51 130 78 134 117 63 55 120 52 91 0.997 10.96 28.0 96 97 96 98 161 273.9 7.098 0.465 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN TAB_REP6-N1026 Malic acid 13.4511 1472.4 2.6 scans 89% TIC 0.38% 0.0800% 700 0.9 264 264423 0.0853% 3052352 2820412 3250608 1-3 0.976 13.53 -5.2 97 96 94 96 335 30.6 1.343 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1138 Pyroglutamic acid 13.9478 1503.9 2.8 scans 47% 156 m/z 3.4% 0.00446% 747 1.1 61 29509 170302 170302 0-0 6: 156 258 230 157 232 158 0.951 14.11 -10.8 85 84 78 91 273 0.0 0.000 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1044 Dodecanol 14.7138 1554.7 2.7 scans 92% TIC 0.40% 0.0632% 820 0.7 229 252107 0.0840% 2409720 2251172 3201067 2-3 0.998 14.24 31.3 97 99 98 99 243 125.4 30.076 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1774 1654.2 2.8 scans 84% 290 m/z 0.29% 0.0725% 959 1.9 230 340610 2763868 2749347 0-2 14: 290 291 292 158 392 144 131 293 115 393 200 172 130 100 0.947 16.28 -6.9 97 95 92 99 392 32.5 1.998 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5341 1679.0 2.7 scans 92% 55 m/z 0.25% 0.163% 993 1.1 365 392225 0.179% 6234259 5508995 6821322 9-1 20: 55 69 73 83 70 56 97 57 84 111 82 127 113 98 68 71 67 140 85 96 1.000 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1010 Glycerol-P 17.4779 1746.8 2.8 scans 98% 357 m/z 0.028% 2.31% 1083 0.5 1339 3513345 88101507 85034746 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 103 101 387 256 133 129 218 328 0.999 16.97 37.3 96 99 98 99 445 214.0 2.557 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5452 1751.7 2.8 scans 77% TIC 0.48% 0.0598% 1089 1.6 212 209990 1.91% 2279453 1784061 72786171 0-4 0.962 17.63 -6.3 91 90 88 92 450 30.8 2.121 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN TAB_REP6-N1048 Citric acid 18.2334 1802.0 2.7 scans 34% 273 m/z 4.5% 0.00869% 1154 1.1 84 22458 331484 296776 3-1 14: 273 274 363 375 347 465 156 275 364 221 376 231 348 466 0.793 18.24 -0.8 91 92 63 95 465 13.7 2.651 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4259 1816.7 4.3 scans 94% TIC 0.028% 3.20% 1173 0.6 1287 3537313 5.68% 122260505 116250799 216453116 1-3 0.982 17.91 38.5 96 99 98 100 327 122.7 0.910 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1012 Phytol 18.5669 1827.5 3.7 scans 97% 68 m/z 0.049% 2.22% 1186 0.4 1177 2052970 2.50% 84627841 83258112 95269858 2-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 39.4 94 98 99 99 278 69.6 0.349 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1016 Hexadecene 18.6227 1831.7 2.8 scans 89% TIC 0.20% 0.267% 1191 1.4 452 504352 5.37% 10208623 9885576 204639654 0-2 0.994 18.10 39.3 84 85 92 97 280 66.7 2.177 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6416 1833.2 2.7 scans 24% 285 m/z 1.4% 0.0310% 1193 1.1 161 71502 0.352% 1183149 1145607 13413996 2-1 15: 285 117 132 129 286 145 118 287 300 201 116 61 241 146 130 0.990 18.73 -6.5 95 95 82 95 300 15.8 0.963 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1002 Phytol 18.8min 18.8489 1849.0 2.6 scans 93% 81 m/z 0.30% 0.265% 1213 1.0 486 337462 10134532 9504151 1-5 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 97 124 109 53 110 56 278 0.996 18.84 0.7 99 98 99 99 278 56.1 1.334 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1018 Fructose 18.9352 1855.5 2.8 scans 50% 103 m/z 2.2% 0.0149% 1221 0.8 111 44182 0.0197% 570683 516838 750726 4-1 13: 103 307 217 308 277 218 104 189 133 309 205 89 172 0.968 18.52 31.2 87 89 87 90 364 11.8 1.129 0.410 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0951 1867.7 3.0 scans 96% 81 m/z 0.15% 0.594% 1236 0.8 667 639126 22648799 22551508 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 53 111 56 1.000 18.58 39.3 92 95 98 99 278 90.9 1.856 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN BRA4_R~2-N1004 Galactose 19.2572 1880.1 2.9 scans 38% 319 m/z 3.8% 0.00956% 1252 1.0 87 26495 0.0195% 364474 353375 743105 2-0 5: 319 205 160 320 321 0.933 19.36 -8.0 89 90 81 90 364 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1068 Galactopyranose 19.3308 1885.7 2.9 scans 59% 204 m/z 1.5% 0.0260% 1259 1.2 141 64573 0.0486% 993241 873776 1852046 2-6 9: 204 191 205 206 192 189 193 228 305 0.922 19.32 1.2 80 78 76 85 435 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9043 1931.1 2.9 scans 89% 299 m/z 0.27% 0.111% 1313 1.2 296 372310 4260220 3925428 1-2 15: 299 117 129 132 231 145 116 201 61 232 314 76 271 255 403 0.993 19.91 -0.6 95 92 94 98 361 13.3 0.203 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2631 1959.9 >3 scans 30% TIC 6.1% 0.00187% 1347 1.1 65 16478 0.0432% 71284 71284 1646263 0-0 0.856 20.41 -12.1 80 81 72 82 217 16.6 6.433 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7850 2001.9 2.9 scans 95% TIC 0.15% 0.632% 1397 0.9 717 650465 0.693% 24105620 23597471 26408805 1-1 0.999 20.27 41.7 82 82 94 98 322 49.2 0.471 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1038 C16:0 21.1532 2032.9 3.6 scans 97% 313 m/z 0.025% 2.97% 1432 0.5 1369 4042675 113336122 112853882 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 201 74 315 116 269 1.000 20.62 44.6 94 99 99 100 328 156.8 1.312 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6562 2075.1 2.8 scans 53% 305 m/z 1.7% 0.0307% 1480 0.9 159 59481 1171844 1122160 3-1 18: 305 217 318 147 191 306 319 265 218 432 307 320 433 367 219 192 291 266 0.908 21.75 -7.8 91 91 78 92 507 10.9 0.475 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1739 2119.4 3.2 scans 39% 396 m/z (143) 1.6% 0.0314% 1529 1.1 148 60688 0.0346% 1200288 1200288 1318535 0-0 15: 396 219 397 381 398 220 307 191 382 293 249 399 383 221 233 0.888 22.19 -1.1 89 90 75 94 396 60.9 16.867 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2665 2127.5 >4 scans 60% TIC 1.2% 0.0533% 1538 1.3 194 79204 0.154% 2032148 2031919 5868623 0-1 0.988 22.33 -5.5 93 91 89 95 342 18.3 0.897 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1934 2208.8 7.5 scans 94% 75 m/z 0.035% 7.76% 1626 0.2 1592 2855281 8.59% 295820930 295190985 327347230 0-1 20: 75 79 73 95 67 93 108 81 80 91 55 107 129 94 121 117 77 149 135 122 0.997 23.12 7.0 96 95 98 95 350 117.0 0.540 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1036 C18:0 23.4112 2228.7 2.9 scans 91% 341 m/z 0.076% 0.804% 1647 0.6 787 1316462 30640685 29834264 1-3 20: 341 117 73 132 75 129 145 342 356 55 57 133 131 118 69 343 201 74 297 313 1.000 22.89 46.9 93 98 98 99 356 103.5 1.733 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7122 2256.2 2.7 scans 45% 163 m/z 0.33% 0.0641% 1675 1.2 230 302730 2443134 2336323 2-9 10: 163 331 164 165 161 332 88 178 90 60 0.846 23.72 -0.7 96 96 84 97 331 53.6 5.418 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1006 Androsterone 23.8963 2273.1 3.4 scans 60% TIC 0.55% 0.0526% 1693 1.0 247 183384 0.280% 2007112 1999945 10670224 1-0 0.974 23.89 0.7 84 77 78 98 345 14.9 0.365 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1415 2295.5 3.3 scans 35% 204 m/z 0.67% 0.0328% 1716 0.8 158 150867 0.0519% 1251717 1226345 1977802 1-2 18: 204 205 217 337 147 103 206 338 219 218 361 191 339 243 203 101 189 319 0.695 24.18 -3.6 90 92 71 92 581 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2351 2304.2 6.6 scans 80% 143 m/z 0.093% 0.203% 1725 1.3 393 1084296 0.419% 7742322 7657595 15967228 1-0 18: 143 73 144 75 156 145 81 155 272 170 74 109 115 169 362 219 93 130 0.987 24.23 0.4 99 98 98 99 362 27.1 0.477 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1014 Androsterone 24.3min 24.2751 2308.0 >3 scans 79% 143 m/z 0.11% 0.170% 1729 1.3 355 918023 0.412% 6506946 6150054 15700473 0-3 20: 143 73 144 75 156 145 81 69 95 155 272 109 115 219 362 279 170 74 257 452 0.996 24.27 0.1 98 97 97 98 362 24.3 0.468 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1018 myo-Inositol 25.2094 2396.8 3.4 scans 70% TIC 0.63% 0.115% 1817 1.4 278 158750 0.187% 4406074 3854521 7126185 3-0 0.972 25.21 0.0 97 96 95 100 470 19.7 0.505 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6209 2437.4 3.4 scans 45% 91 m/z (85) 0.63% 0.0409% 1857 1.3 156 159086 1561444 1388057 4-5 12: 91 117 194 207 92 208 115 65 312 193 118 63 0.976 25.61 1.1 94 95 96 96 312 19.1 1.494 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3763 2512.7 3.0 scans 71% 204 m/z 0.17% 0.150% 1928 1.0 363 595861 0.234% 5743677 5740292 8917259 0-1 15: 204 73 217 205 147 219 206 218 133 74 191 305 148 101 189 0.994 25.86 52.0 80 83 89 98 361 17.2 0.223 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5563 2531.3 2.8 scans 58% 512 m/z 0.43% 0.125% 1945 0.9 310 233542 4763628 4687025 1-0 15: 512 455 247 513 456 514 483 248 457 349 263 497 423 484 249 0.956 26.57 -1.8 98 98 92 99 512 103.5 11.117 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9287 2569.8 2.9 scans 87% 371 m/z 0.048% 0.782% 1981 0.7 806 2072446 29813325 28047202 2-2 20: 371 372 73 147 57 129 205 203 239 459 373 71 55 103 116 85 101 75 145 117 0.987 26.39 55.2 89 96 96 100 459 99.9 1.539 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1008 Sucrose 27.4149 2620.7 2.8 scans 44% 361 m/z 0.51% 0.0724% 2027 1.1 246 197055 2760260 2678132 1-2 11: 361 362 437 363 271 451 438 439 452 364 272 0.937 27.59 -18.8 98 97 87 97 437 46.9 3.639 -0.176 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN LQC1-N1010 Sucrose 27.4191 2621.1 4.3 scans 40% TIC 0.60% 0.0509% 2027 1.5 235 167709 0.268% 1939799 1858004 10212929 1-0 0.787 27.58 -17.1 97 97 89 98 437 43.2 3.386 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6000 2640.5 3.8 scans 20% 99 m/z 1.4% 0.0408% 2045 1.6 161 71847 0.0914% 1555979 1549049 3483066 1-0 17: 99 71 214 189 186 296 173 368 270 100 187 215 240 227 288 174 228 0.773 27.60 -0.1 82 81 72 93 368 14.0 0.754 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6628 2756.8 >4 scans 30% TIC 1.3% 0.00816% 2146 1.5 142 74222 0.215% 311082 311082 8193208 0-0 0.927 28.69 -2.6 80 80 85 87 603 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7259 2763.9 2.7 scans 89% 399 m/z 0.082% 0.470% 2152 0.8 619 1221471 0.478% 17922539 17174788 18215597 2-1 19: 399 400 73 147 129 57 205 203 401 103 487 55 71 116 267 145 117 101 85 0.999 28.19 60.0 89 97 97 99 487 78.9 1.626 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN SQUALENE-N1017 Squalene STD 29.0805 2803.8 6.1 scans 54% TIC 0.58% 0.0315% 2185 1.6 199 172053 0.0457% 1203346 1203346 1741533 0-0 0.982 29.09 -1.3 87 87 93 87 410 9.9 0.245 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1034 Nonacosane 29.5150 2852.6 3.0 scans 84% 57 m/z 0.12% 0.341% 2227 0.8 513 810264 13010840 12518718 2-1 20: 57 71 85 55 99 69 365 56 83 97 113 70 127 111 84 141 393 366 155 364 0.999 29.50 1.1 93 90 97 98 408 19.8 0.149 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8402 2889.2 3.0 scans 85% 57 m/z (267) 0.10% 0.412% 2258 0.8 540 932530 15734345 14795168 2-3 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 141 111 155 98 112 58 126 0.998 29.83 1.5 94 93 99 100 408 34.4 0.407 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4725 2963.7 3.1 scans 79% 57 m/z 0.11% 0.385% 2318 0.8 535 895902 0.392% 14673837 13754169 14938314 5-1 20: 57 71 85 56 393 55 69 83 99 97 392 70 394 113 127 111 141 84 58 155 0.997 30.46 1.1 98 96 99 100 393 127.6 5.680 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2175 3052.2 3.3 scans 79% 57 m/z 0.12% 0.388% 2388 0.8 523 819865 14819854 14553095 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 394 155 98 421 0.990 31.21 0.7 99 98 99 100 393 80.1 2.346 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1048 Hentriacontane 31.5300 3089.3 3.3 scans 75% 57 m/z (199) 0.066% 0.798% 2418 0.8 718 1533735 30415392 28258609 10-1 20: 57 71 85 55 69 83 97 113 56 70 127 84 111 141 98 155 112 82 126 58 0.998 31.53 -0.2 97 98 100 99 436 42.1 0.344 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8299 3124.9 2.9 scans 85% 502 m/z 0.042% 0.807% 2447 0.6 790 2368219 30769565 30769565 0-0 15: 502 237 503 73 236 504 238 277 221 208 223 239 74 505 193 0.988 31.79 4.5 100 99 98 100 502 384.3 23.722 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9582 3140.2 4.3 scans 76% TIC 0.16% 1.24% 2459 1.2 781 616345 47450268 43220777 2-1 0.949 31.87 10.8 95 94 92 97 458 113.2 2.100 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1046 Stigmasterol 33.0020 3264.1 3.8 scans 85% TIC 0.092% 1.80% 2558 0.5 1083 1089501 2.38% 68650242 64856650 90696904 0-1 0.985 32.98 2.3 96 94 97 98 665 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3556 3306.1 3.0 scans 70% 99 m/z 0.17% 0.554% 2592 0.8 645 565988 1.31% 21117621 18696140 49921405 2-6 18: 99 217 361 189 199 437 71 529 362 169 103 173 438 287 218 530 439 363 0.989 33.38 -2.8 99 99 98 99 529 111.7 3.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN WTF2-N1034 b-Sitosterol 33.4944 3322.6 3.6 scans 81% 129 m/z 0.13% 1.12% 2605 0.6 858 765015 42689266 40611537 1-1 19: 129 357 396 486 381 95 121 107 75 119 145 358 81 397 105 57 356 55 133 0.991 32.88 73.3 85 97 97 99 486 126.2 2.162 0.617 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.6018 3335.4 3.2 scans 54% 386 m/z (99) 0.51% 0.336% 2615 1.0 474 198339 12820254 11859162 1-4 8: 386 296 281 387 119 257 107 371 0.978 33.58 2.1 90 90 93 97 505 3.9 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4341 3434.2 3.9 scans 33% TIC 1.4% 0.0486% 2694 1.8 242 70718 1854150 1814619 0-1 0.877 34.44 -0.2 87 86 82 97 543 29.1 1.444 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4414 3435.1 3.6 scans 25% 505 m/z 1.6% 0.0654% 2695 1.1 205 62147 0.0943% 2495637 2242903 3593579 1-1 11: 505 331 506 475 223 507 491 476 492 290 477 0.767 34.59 -17.5 92 94 82 95 596 0.0 0.000 -0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5866 3452.3 4.0 scans 32% 596 m/z 0.40% 0.107% 2709 0.9 248 251819 4112729 3751288 1-9 15: 596 597 598 331 316 599 302 315 356 318 303 317 357 342 330 0.950 34.47 13.6 97 96 89 99 596 125.3 25.571 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN EXBLK5S-N1006 Contamination 6.3637 1047.8 2.2 scans 71% 207 m/z 0.51% 0.0273% 26 1.3 181 205313 1322370 1304029 0-6 14: 207 295 208 209 296 191 297 279 193 189 210 177 247 192 0.982 6.63 -15.5 98 97 91 97 295 58.3 10.334 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1192 Contamination 7.9672 1142.9 2.3 scans 93% 147 m/z 0.20% 0.135% 179 0.9 383 524911 0.135% 6551952 6309204 6536345 5-2 19: 147 73 133 220 235 148 59 146 72 86 89 74 160 103 100 149 131 134 221 0.998 7.99 -1.3 97 96 97 97 235 78.2 4.163 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1026 Cadaverine NC 8.1240 1152.2 2.3 scans 29% 174 m/z 7.2% 0.00154% 194 0.9 42 14566 74880 74880 0-0 5: 174 86 216 175 100 0.923 7.74 23.0 87 89 63 90 216 10.3 5.862 0.388 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1188 Contamination 8.3049 1162.9 2.2 scans 53% 281 m/z 2.3% 0.00991% 211 1.0 109 45713 480156 460593 0-12 13: 281 147 369 282 283 370 265 207 371 249 284 191 266 0.929 8.41 -6.5 95 94 77 98 369 31.5 8.360 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1186 Phosphate 8.4986 1174.4 2.3 scans 83% 241 m/z 0.60% 0.0221% 229 1.4 158 175958 1071586 1027439 1-1 19: 241 242 211 133 243 256 163 195 135 98 89 59 119 137 257 121 181 212 164 0.988 8.56 -3.6 99 98 95 99 299 3.1 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1184 Valine 9.1173 1210.9 3.5 scans 28% 144 m/z 8.2% 0.00168% 288 0.6 36 12830 0.00219% 81401 81401 106034 0-0 3: 144 145 218 0.910 9.19 -4.1 83 88 71 87 218 12.7 12.651 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN VEN77_S6-N1002 Glycerol 10.0463 1265.3 5.9 scans 96% 300 m/z 0.012% 3.85% 376 0.2 1332 8367316 186636143 180326694 1-1 20: 300 314 301 315 283 211 193 316 284 209 195 285 194 212 181 137 227 269 213 226 0.967 10.09 -2.7 98 96 93 98 299 688.7 26.858 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1014 Maleic acid 10.5304 1293.6 2.7 scans 74% TIC 0.39% 0.0439% 422 1.1 209 270507 0.0464% 2127768 2127768 2246566 0-0 0.829 10.60 -4.2 96 95 92 97 245 45.3 4.712 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6713 1301.9 2.6 scans 63% 199 m/z 1.2% 0.0356% 436 1.0 186 86611 1723674 1599213 4-1 10: 199 117 145 132 200 131 67 118 201 155 0.712 10.73 -3.7 94 93 88 99 209 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1168 Glyceric acid 10.9523 1318.8 2.6 scans 80% 73 m/z 1.1% 0.0259% 462 1.1 161 92632 0.0281% 1257071 1181085 1360528 1-0 19: 73 147 189 292 103 133 205 293 102 190 307 148 117 294 57 191 74 149 175 0.968 11.05 -6.1 96 95 92 97 292 44.9 7.770 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0217 1323.0 2.5 scans 57% 184 m/z 4.0% 0.00640% 469 1.0 83 26555 310291 310291 0-0 13: 184 134 285 174 86 77 100 185 286 59 227 135 172 0.900 11.06 -2.5 96 96 89 96 285 26.5 10.057 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1162 Fumaric acid 11.2879 1339.0 2.4 scans 71% 245 m/z 0.94% 0.0160% 494 1.1 132 112243 0.0728% 775188 736375 3524784 0-3 15: 245 147 246 143 247 115 83 148 149 155 53 61 144 58 157 0.988 11.39 -6.3 97 96 89 96 245 79.8 36.588 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3858 1344.9 2.9 scans 14% 57 m/z 0.37% 0.0611% 504 1.2 228 286618 0.0805% 2960950 2739309 3897598 4-0 19: 57 97 115 145 127 129 69 111 59 128 109 71 72 98 87 201 114 113 96 0.984 11.45 -3.6 95 96 89 95 145 67.9 8.914 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4489 1348.7 4.5 scans 96% TIC 0.013% 2.39% 510 0.3 1181 8080035 116117942 114592396 1-1 0.992 10.96 29.7 96 97 96 99 161 317.6 7.240 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN BRA4_R~2-N1008 Thymine 11.5131 1352.6 2.5 scans 4.4% 255 m/z 31% 0.000294% 516 0.9 18 3403 14215 14215 0-0 1: 255 1.000 11.58 -4.2 81 91 72 91 270 7.7 18.597 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1154 Threonine 11.8456 1372.6 2.4 scans 48% 219 m/z (228) 10% 0.00324% 547 1.0 58 10201 157260 157260 0-0 5: 219 218 291 292 220 0.922 11.96 -6.9 82 85 74 87 320 0.0 0.000 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1146 Malic acid 13.4828 1474.4 3.0 scans 98% 73 m/z 0.018% 1.61% 703 0.6 1194 5804578 78128103 78128103 0-0 20: 73 147 233 245 189 133 190 75 148 74 191 175 335 55 101 149 234 217 59 117 0.999 13.62 -8.4 100 100 99 100 350 30.4 0.065 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.6764 1486.6 2.6 scans 41% 243 m/z (217) 7.1% 0.00558% 721 1.2 74 14887 0.00563% 270530 270530 272590 0-0 7: 243 100 115 128 244 201 245 0.910 13.81 -8.2 85 88 82 90 243 28.4 14.575 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7848 1493.4 2.7 scans 55% 217 m/z 2.6% 0.0144% 732 1.3 119 40753 0.0177% 701842 650525 856987 1-0 20: 217 205 147 103 204 189 307 218 191 206 293 219 116 133 148 308 320 101 277 104 0.975 13.89 -6.7 92 90 86 95 320 10.1 0.725 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1028 Aspartic acid 13.9552 1504.4 2.5 scans 18% 232 m/z (73) 0.70% 0.0180% 748 1.1 139 150065 874141 859442 1-0 17: 232 233 218 100 234 202 188 219 216 203 306 101 220 204 174 334 235 0.932 14.02 -4.1 89 90 84 93 258 7.2 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1138 Pyroglutamic acid 13.9595 1504.7 3.0 scans 83% 73 m/z (232) 0.20% 0.103% 748 1.2 297 516911 4994042 4829408 1-1 20: 73 147 75 74 259 148 59 133 72 121 149 117 260 131 142 61 134 155 132 115 0.986 14.11 -10.0 93 93 92 98 273 10.6 0.127 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1140 Aspartic acid 13.9595 1504.7 3.0 scans 50% 73 m/z (156) 0.35% 0.0617% 748 1.2 230 297642 2991709 2893084 1-1 20: 73 147 75 74 259 148 59 133 72 121 149 117 260 131 142 61 134 155 132 115 0.967 14.09 -8.4 91 92 91 95 349 9.3 0.163 -0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 13.9605 1504.7 3.1 scans 79% TIC 0.21% 0.103% 748 1.4 290 502783 5020845 4837974 1-1 0.861 14.03 -4.6 90 86 88 98 258 53.5 3.405 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1134 GABA 14.1183 1515.2 2.6 scans 59% 174 m/z (69) 0.82% 0.0254% 763 1.4 157 129454 0.0263% 1232839 1232839 1273377 0-0 14: 174 304 175 147 176 305 86 306 246 216 100 172 130 144 0.987 14.24 -8.2 91 92 88 96 304 46.1 8.654 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1044 Dodecanol 14.7223 1555.3 2.6 scans 89% 243 m/z (206) 0.48% 0.0483% 821 1.0 210 220723 2342720 2096850 1-13 16: 243 75 244 103 97 89 83 69 245 101 61 111 115 76 104 87 0.997 14.24 31.9 94 97 97 99 243 111.9 28.282 0.480 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 14.8749 1565.4 2.6 scans 63% 217 m/z 1.0% 0.0114% 835 1.2 107 99425 554444 551860 0-1 4: 217 218 219 129 0.918 15.44 -37.6 81 85 82 86 393 0.0 0.000 -0.565 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1120 Glutamic acid 15.4525 1603.9 2.5 scans 90% 246 m/z 0.36% 0.0588% 890 1.2 253 293512 2851421 2765050 3-1 19: 246 73 247 128 147 248 348 156 230 100 84 218 363 74 231 149 133 349 129 0.998 15.56 -7.4 96 94 94 97 363 23.3 0.843 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1118 Phenylalanine 15.5451 1610.3 3.2 scans 53% TIC 4.8% 0.00187% 899 1.4 62 21742 0.0562% 90885 90885 2721056 0-0 0.976 15.66 -7.9 87 87 78 87 294 0.0 0.000 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1838 1654.6 3.1 scans 73% 290 m/z 0.34% 0.0573% 960 1.7 211 306665 0.0702% 2777541 2643196 3398899 1-0 17: 290 73 291 292 392 158 144 131 393 293 74 115 59 172 394 101 130 0.900 16.28 -6.5 97 95 91 99 392 29.7 1.992 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1042 Ribose 16.2901 1662.0 >4 scans 47% TIC 4.0% 0.00565% 970 2.1 88 26473 0.0857% 273707 273707 4149368 0-0 0.922 16.10 13.0 85 85 76 88 307 28.9 10.761 0.187 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5416 1679.5 2.7 scans 91% 55 m/z 0.31% 0.124% 994 1.0 322 339516 0.138% 6015239 5071374 6681597 9-4 20: 55 69 83 73 97 56 70 57 111 84 113 82 127 98 68 71 96 140 67 112 1.000 16.63 -5.9 99 98 98 98 210 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1010 Glycerol-P 17.4833 1747.2 3.2 scans 97% 299 m/z 0.031% 1.94% 1083 0.5 1257 3426043 94061725 91987206 1-1 20: 299 73 358 147 300 211 359 103 301 101 129 256 133 218 131 75 316 74 371 207 0.999 16.97 37.7 96 99 98 99 445 203.8 2.632 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5517 1752.2 2.6 scans 77% 217 m/z 0.32% 0.0620% 1090 1.1 251 326250 0.530% 3004043 2853011 25661205 0-1 18: 217 73 218 147 450 219 305 191 232 451 74 133 257 148 149 452 203 306 0.990 17.63 -5.8 93 91 91 93 450 39.2 2.433 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1082 Citric acid 18.2419 1802.7 2.9 scans 88% 273 m/z 0.24% 0.158% 1155 1.0 374 428010 7694553 7330168 3-1 19: 273 73 147 363 274 347 375 465 275 211 148 149 364 348 74 305 376 133 221 0.994 18.32 -6.0 97 96 94 97 465 51.1 1.866 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4313 1817.1 4.4 scans 93% 73 m/z (310) 0.032% 2.17% 1173 0.5 1125 3278434 105514899 101959151 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 66 213 133 90 121 117 137 0.999 17.91 38.9 93 99 98 99 327 112.0 0.994 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1012 Phytol 18.5839 1828.7 3.6 scans 96% 68 m/z 0.041% 2.21% 1188 0.3 1260 2555710 2.41% 107452741 101512001 116685855 6-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 109 96 124 111 79 56 137 110 1.000 18.04 40.6 94 98 99 99 278 77.2 0.376 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1016 Hexadecene 18.6323 1832.4 2.5 scans 82% 70 m/z 0.18% 0.201% 1192 1.1 449 579954 1.30% 9756811 8847949 62942577 0-1 18: 70 69 71 55 57 83 111 56 125 126 97 84 280 85 140 67 112 98 0.977 18.10 40.0 84 85 95 97 280 70.4 2.455 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6502 1833.8 2.7 scans 27% 285 m/z 1.1% 0.0305% 1194 1.1 175 89372 1478559 1399270 1-2 14: 285 117 132 129 286 145 118 287 300 201 241 61 130 257 0.985 18.73 -5.9 93 92 81 96 300 17.4 0.989 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1076 Pregnane?? 18.7659 1842.6 2.8 scans 68% 345 m/z 1.5% 0.0253% 1205 1.0 160 68613 1226051 1161686 1-1 14: 345 346 147 255 347 79 256 334 108 80 435 348 239 372 0.989 18.86 -7.1 82 81 70 82 537 7.6 0.223 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1002 Phytol 18.8min 18.8585 1849.7 2.7 scans 94% TIC 0.24% 0.290% 1214 0.9 531 440441 0.979% 14065720 13385927 47400602 1-1 0.990 18.84 1.4 98 97 98 99 278 62.6 1.391 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1072 Fructose 18.9469 1856.4 2.7 scans 94% 73 m/z 0.051% 0.671% 1222 1.0 805 2081773 32518588 30386745 5-1 20: 73 103 307 217 147 308 277 218 133 309 74 205 189 104 117 364 219 89 75 148 0.999 19.03 -6.6 99 98 99 99 364 79.0 0.966 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1052 Fructose 19.0668 1865.6 >3 scans 87% TIC 0.072% 0.501% 1234 0.9 658 1457663 1.86% 24259175 23406507 90056303 2-0 0.995 19.10 -2.8 97 97 97 97 364 65.4 0.990 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1089 1868.8 3.1 scans 94% 81 m/z 0.13% 0.588% 1238 0.6 700 786643 28481752 28480352 1-0 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.998 18.58 40.4 92 95 98 98 278 93.2 1.774 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1064 Mannose 19.2667 1880.8 2.6 scans 94% 73 m/z 0.083% 0.433% 1253 1.0 655 1270867 20966269 20910728 1-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 189 129 207 161 148 157 0.998 19.45 -14.4 99 98 99 98 319 237.3 13.137 -0.188 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1062 Glucose 19.5045 1899.0 3.7 scans 76% 73 m/z 0.25% 0.168% 1275 1.1 357 411879 0.230% 8159220 8159220 11135994 0-0 19: 73 147 133 74 89 148 161 157 59 131 100 234 105 134 72 102 186 119 300 0.890 19.66 -12.1 84 86 76 86 319 94.5 0.000 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1059 Glucose 19.5108 1899.5 2.8 scans 54% 319 m/z 0.27% 0.0884% 1276 0.8 288 391189 4282974 4114739 1-2 17: 319 320 160 103 217 321 229 291 277 233 307 218 235 104 322 230 305 0.636 19.55 -3.2 91 95 67 92 376 11.4 0.158 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9159 1932.0 3.0 scans 72% 204 m/z 0.22% 0.110% 1314 1.3 308 467823 0.143% 5336800 5111272 6923683 2-5 15: 204 217 159 205 147 129 206 218 191 160 291 219 305 243 203 0.975 19.91 0.3 95 92 93 99 361 13.9 0.204 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2705 1960.5 7.3 scans 34% TIC 2.3% 0.00338% 1348 0.8 92 45849 0.0609% 163708 163708 2948618 0-0 0.843 20.41 -11.5 84 85 81 85 217 22.3 5.866 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7977 2003.0 3.1 scans 94% TIC 0.13% 0.632% 1398 0.9 746 769214 0.704% 30645083 29599947 34085826 2-1 0.999 20.27 42.8 82 82 94 97 322 51.9 0.485 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1038 C16:0 21.1702 2034.3 3.9 scans 97% 313 m/z 0.022% 2.86% 1434 0.3 1377 4677797 138767135 135618272 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 315 57 69 285 269 74 1.000 20.62 46.0 94 99 99 100 328 160.9 1.368 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6689 2076.2 2.8 scans 96% TIC 0.060% 0.902% 1481 0.7 894 1756205 0.926% 43717394 40604303 44834482 3-3 0.997 21.75 -6.7 100 99 99 99 507 57.3 0.411 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8867 2094.5 3.2 scans 55% 319 m/z 1.0% 0.0414% 1502 1.1 173 103681 2009253 1793883 2-7 9: 319 205 320 262 321 206 263 277 336 0.934 21.93 -3.6 90 90 83 92 656 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9635 2101.0 3.1 scans 44% 327 m/z 2.1% 0.0206% 1509 1.1 132 50150 999068 997785 0-1 9: 327 132 328 342 329 201 283 146 343 0.960 22.33 -32.0 92 94 85 96 342 18.9 2.031 -0.366 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1824 2120.1 3.3 scans 29% 396 m/z 2.2% 0.0137% 1530 1.4 104 46351 0.0150% 666139 666139 726261 0-0 10: 396 219 381 220 398 382 293 383 399 308 0.746 22.19 -0.4 90 90 57 91 396 51.3 24.511 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6980 2165.1 3.9 scans 31% 204 m/z 1.1% 0.0123% 1579 1.2 131 93987 0.0837% 595806 595806 4052534 0-0 12: 204 73 205 217 147 218 191 74 103 219 250 263 0.829 22.71 -1.4 93 92 88 96 518 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 7.6 scans 93% 79 m/z (339) 0.031% 7.80% 1628 0.2 1635 3346431 8.01% 377990153 354094912 387823110 3-0 20: 79 75 73 95 93 67 108 81 80 91 107 94 121 55 129 77 149 135 335 122 1.000 23.12 8.8 93 94 98 94 350 114.2 0.488 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1036 C18:0 23.4198 2229.5 2.8 scans 90% 341 m/z 0.074% 0.658% 1647 0.7 771 1420965 31860868 30057292 2-4 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 343 69 201 74 297 116 0.998 22.89 47.7 93 98 98 99 356 102.2 1.755 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7228 2257.2 2.8 scans 35% 163 m/z (195) 0.45% 0.0450% 1676 1.2 203 232792 0.0480% 2182474 2076691 2324034 2-10 8: 163 331 164 165 88 332 90 313 0.936 23.72 0.3 92 94 91 96 331 44.4 4.763 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1468 2296.0 3.3 scans 43% 204 m/z (333) 0.62% 0.0435% 1716 0.9 170 168998 0.0556% 2109459 1733024 2692006 1-9 15: 204 217 205 337 147 103 206 338 219 218 191 339 362 203 220 0.983 24.01 12.5 91 92 89 94 490 0.0 0.000 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1468 2296.0 3.3 scans 42% 204 m/z 0.62% 0.0377% 1716 0.9 169 169265 0.0481% 1825498 1499736 2328875 1-9 15: 204 217 205 337 147 103 206 338 219 218 191 339 362 203 220 0.914 24.18 -3.1 92 92 83 92 581 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6887 2347.3 3.9 scans 36% 73 m/z 1.8% 0.0192% 1768 0.5 135 58218 0.0697% 931973 931973 3374690 0-0 20: 73 191 147 217 421 331 205 307 262 103 332 75 422 348 319 308 117 333 305 192 0.819 24.65 3.7 83 84 78 86 466 0.0 0.000 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7729 2355.3 2.9 scans 45% 217 m/z 1.4% 0.0282% 1776 1.1 166 71013 1367868 1266905 1-3 14: 217 204 292 375 103 218 305 219 293 376 233 275 306 399 0.923 24.81 -3.1 82 81 77 85 451 14.7 0.782 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1018 myo-Inositol 25.2148 2397.3 3.1 scans 50% 318 m/z 0.96% 0.0549% 1818 1.0 207 109796 2662022 2219676 12-3 16: 318 315 299 387 319 316 320 389 300 388 317 432 301 343 433 390 0.950 25.21 0.5 97 96 91 98 470 15.8 0.583 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6336 2438.7 3.3 scans 39% 91 m/z 0.63% 0.0291% 1858 1.1 151 166718 1413737 1232682 3-5 15: 91 117 194 207 92 115 208 65 312 193 104 118 51 102 233 0.960 25.61 2.4 91 90 90 96 312 18.6 1.517 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5637 2532.1 3.3 scans 62% TIC 0.35% 0.118% 1946 2.2 326 295305 0.322% 5743149 5652391 15590392 0-1 0.925 26.57 -1.0 97 97 89 98 512 99.2 9.254 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9394 2570.9 2.8 scans 89% 371 m/z 0.036% 0.829% 1982 0.7 892 2914371 40148457 38558661 2-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 103 116 85 75 101 145 133 117 0.977 26.39 56.3 90 97 96 100 459 114.9 1.664 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN LQC1-N1010 Sucrose 27.4276 2622.0 2.9 scans 91% 361 m/z 0.034% 0.984% 2028 0.9 958 3068539 1.15% 47677403 47296442 55679972 1-2 20: 361 73 217 362 437 147 363 103 271 218 451 129 169 438 243 319 191 74 439 364 0.994 27.58 -16.2 100 99 98 99 437 176.7 3.413 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6065 2641.1 3.4 scans 30% 99 m/z 0.87% 0.0598% 2045 1.7 212 121336 0.114% 2900046 2840615 5519580 1-0 11: 99 71 214 189 173 100 240 187 368 270 269 0.873 27.64 -3.9 82 82 75 86 632 7.1 0.113 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3703 2723.9 2.9 scans 48% 99 m/z 0.46% 0.0607% 2118 1.0 236 228840 2940818 2685261 5-3 17: 99 71 189 173 283 171 385 100 184 187 185 269 273 287 286 288 199 0.897 28.41 -4.5 83 81 81 89 603 6.4 0.074 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6702 2757.6 3.1 scans 31% TIC 1.1% 0.00773% 2146 0.9 151 95439 0.187% 374657 374657 9054048 0-0 0.931 28.69 -1.8 88 88 90 90 603 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7355 2765.0 2.8 scans 90% 399 m/z 0.064% 0.497% 2153 0.8 680 1649777 24085790 24034870 1-0 20: 399 400 73 147 129 57 205 203 487 401 55 103 71 116 145 75 101 117 267 85 1.000 28.19 61.1 89 97 97 100 487 88.9 1.709 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN SQUALENE-N1017 Squalene STD 29.0879 2804.6 2.9 scans 47% 69 m/z 0.50% 0.0393% 2186 1.2 203 208791 1903706 1814855 1-1 17: 69 81 137 136 68 95 121 93 67 123 107 82 70 94 53 122 341 0.974 29.09 -0.5 88 89 94 89 410 10.5 0.268 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1034 Nonacosane 29.5257 2853.8 2.9 scans 84% 57 m/z 0.11% 0.313% 2228 0.8 529 935611 15156250 14765062 2-1 20: 57 71 85 55 99 69 365 56 83 97 113 70 127 111 141 84 393 366 155 364 0.998 29.50 2.3 92 89 97 98 408 20.0 0.143 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8466 2889.9 3.0 scans 85% 57 m/z 0.11% 0.300% 2258 0.9 523 948595 14531850 14504235 0-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 86 0.996 29.83 2.2 95 92 98 99 408 34.5 0.435 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1038 Hexacosanol 30.1854 2929.6 3.3 scans 1.5% 439 m/z 12% 0.000938% 2290 1.1 27 8259 0.00193% 45437 45437 93446 0-0 2: 439 440 0.558 30.17 1.5 82 93 34 96 439 21.6 63.856 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4327 2959.0 3.2 scans 37% 193 m/z 0.74% 0.0652% 2314 1.1 236 141813 3158907 2963332 1-2 14: 193 119 105 163 120 91 194 176 171 515 247 325 516 248 0.909 30.36 8.9 81 83 77 84 529 12.4 0.275 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4800 2964.6 3.1 scans 78% 57 m/z 0.11% 0.306% 2318 0.8 513 911628 0.323% 14835461 14425372 15638810 3-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 155 0.996 30.46 2.0 98 97 99 100 393 122.7 5.724 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2260 3053.2 3.1 scans 78% 57 m/z 0.10% 0.342% 2389 0.8 546 965981 16563350 16208705 1-0 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 394 421 155 98 0.991 31.21 1.7 98 97 99 100 393 84.8 2.416 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1048 Hentriacontane 31.5396 3090.4 3.2 scans 72% 57 m/z (199) 0.065% 0.611% 2419 0.8 702 1634151 29625525 28837480 1-1 20: 57 71 85 55 69 83 97 113 56 70 127 84 141 111 98 155 112 126 82 58 0.994 31.53 0.9 95 97 99 98 436 41.3 0.346 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8415 3126.3 2.9 scans 87% 502 m/z 0.037% 0.761% 2448 0.6 827 2823605 36877004 36877004 0-0 16: 502 237 503 73 236 238 504 57 277 221 223 239 208 74 505 193 0.999 31.79 5.9 100 98 98 100 502 400.1 23.457 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9720 3141.8 4.9 scans 75% TIC 0.15% 1.06% 2460 1.0 782 666596 51614164 49664584 1-0 0.957 31.87 12.4 95 94 91 97 458 113.1 2.096 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1046 Stigmasterol 33.0116 3265.3 3.6 scans 86% TIC 0.095% 1.48% 2559 0.6 1094 1116672 2.13% 71910143 68848959 103128992 0-1 0.988 32.98 3.5 93 91 96 95 665 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3651 3307.3 3.3 scans 76% 99 m/z 0.12% 0.705% 2593 0.8 762 830646 1.27% 34159825 31842426 61490056 2-1 19: 99 217 361 189 73 437 199 71 529 362 169 438 103 173 218 287 530 363 451 0.993 33.38 -1.6 99 98 99 99 529 134.5 3.115 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN WTF2-N1034 b-Sitosterol 33.5061 3324.0 3.8 scans 78% 129 m/z 0.14% 0.902% 2606 0.5 822 752898 43682160 41878689 1-2 19: 129 357 396 486 381 358 95 75 107 119 397 121 57 356 145 105 81 255 159 0.992 32.88 74.7 85 97 97 99 486 121.8 2.198 0.629 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6177 3337.3 3.3 scans 43% 386 m/z (99) 0.36% 0.372% 2617 0.9 526 292660 18041642 17325000 1-5 9: 386 296 281 387 119 257 371 213 211 0.942 33.58 4.0 89 91 90 97 505 0.0 0.000 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9060 3371.5 3.5 scans 15% 441 m/z 0.82% 0.0289% 2644 0.9 147 129068 1401740 1362596 1-1 6: 441 442 646 308 443 647 0.900 33.80 13.1 94 94 86 96 646 24.5 2.799 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4499 3436.1 3.9 scans 6.0% 505 m/z 4.7% 0.0174% 2695 1.3 108 22185 0.0185% 846794 762589 895721 1-0 4: 505 506 491 507 0.724 34.59 -16.5 88 91 66 92 596 0.0 0.000 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4573 3437.0 >6 scans 22% TIC 2.1% 0.0259% 2696 0.4 211 49729 0.0585% 1258275 1258275 2832416 0-0 0.919 34.44 2.6 81 79 70 90 543 8.7 0.170 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N38_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5983 3453.7 4.0 scans 21% 596 m/z 0.32% 0.100% 2710 0.9 261 325293 4886269 4617704 1-1 13: 596 597 598 331 316 599 302 315 318 356 303 330 300 0.951 34.47 15.0 97 96 89 99 596 135.8 27.102 0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN EXBLK5S-N1006 Contamination 6.3719 1048.3 3.9 scans 47% 207 m/z 4.5% 0.0247% 27 1.7 81 22175 0.0249% 333745 309238 335565 0-3 8: 207 295 208 129 209 296 191 74 0.897 6.63 -15.0 86 86 65 88 295 23.3 8.182 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1192 Contamination 7.9534 1142.0 2.6 scans 95% 73 m/z 0.13% 0.735% 177 0.8 542 732918 9917906 9053581 2-1 20: 73 147 133 220 235 59 148 146 72 86 74 75 89 103 160 100 149 131 134 221 0.998 7.99 -2.2 99 97 97 98 235 106.3 3.843 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1188 Contamination 8.3237 1164.0 4.5 scans 71% 281 m/z 4.7% 0.0288% 213 1.7 86 21034 0.0366% 388940 375978 493240 0-6 12: 281 147 369 282 195 283 207 265 370 148 251 249 0.988 8.41 -5.4 88 87 55 91 369 21.1 5.974 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1186 Phosphate 8.4847 1173.5 2.1 scans 93% 241 m/z 0.59% 0.0708% 228 1.1 194 166992 955229 955229 0-0 20: 241 242 133 211 73 243 256 163 135 195 59 98 89 121 137 134 164 181 119 257 1.000 8.56 -4.5 99 98 95 99 299 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1180 Benzoic acid 9.6537 1242.3 3.4 scans 84% TIC 2.9% 0.0369% 339 0.4 105 33554 0.0821% 498305 480373 1106420 0-1 0.965 9.76 -6.2 95 95 82 95 194 15.5 2.207 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN VEN77_S6-N1002 Glycerol 10.0167 1263.5 4.2 scans 93% 299 m/z 0.023% 3.88% 374 0.5 1042 4244398 52353048 52353048 0-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 74 135 316 302 75 59 131 225 0.970 10.09 -4.5 99 98 94 99 299 606.5 34.019 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LACTIC~1-N1034 Glycerol 10.0220 1263.8 4.0 scans 8.6% 147 m/z (299) 0.30% 0.355% 374 0.5 317 326070 4795982 4503294 1-1 20: 147 117 103 148 206 149 177 104 89 116 118 150 176 66 113 55 90 164 88 56 0.603 10.11 -5.2 89 97 59 94 293 21.2 0.448 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1174 Proline 10.4281 1287.6 3.2 scans 87% 142 m/z 1.6% 0.0238% 413 0.8 92 59292 320862 320862 0-0 6: 142 73 143 216 144 66 1.000 10.55 -6.8 92 93 90 93 142 71.7 60.677 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN TAB_REP6-N1012 Proline 10.4281 1287.6 3.8 scans 87% TIC 1.7% 0.0275% 413 0.9 92 57702 0.191% 370691 364029 2574010 0-1 1.000 10.53 -6.2 93 92 86 92 216 16.0 2.991 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6544 1300.9 3.2 scans 81% TIC 1.2% 0.126% 434 1.2 205 80109 0.178% 1704258 1644102 2398815 1-1 0.883 10.73 -4.7 99 97 96 99 209 7.2 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1168 Glyceric acid 10.9395 1318.0 >3 scans 76% TIC 7.2% 0.00774% 461 1.6 63 13699 0.0889% 104344 104344 1198060 0-0 1.000 11.05 -6.9 84 84 78 84 292 18.3 8.427 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9826 1320.6 2.5 scans 78% 184 m/z 3.2% 0.0303% 465 0.9 114 30509 0.0307% 409249 409249 413728 0-0 18: 184 134 285 174 77 86 100 59 185 227 286 135 172 130 186 110 74 178 0.990 11.06 -4.9 97 97 92 97 285 34.8 9.292 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3667 1343.8 3.4 scans 93% 57 m/z 0.46% 0.190% 502 0.8 251 216056 2571146 2396619 4-1 20: 57 97 115 145 127 69 55 129 56 59 111 109 58 128 72 87 83 71 98 146 0.999 11.45 -4.7 99 98 98 99 145 70.6 7.936 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN TAB_REP6-N1026 Malic acid 13.4511 1472.4 2.5 scans 88% TIC 1.8% 0.0359% 700 0.8 130 53545 0.0505% 484378 456844 680563 2-2 0.990 13.53 -5.2 82 81 80 82 335 14.4 1.238 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2592 1524.5 2.4 scans 61% 263 m/z 1.3% 0.0346% 777 0.9 125 74100 467530 467530 1-0 9: 263 264 278 265 91 279 128 239 247 0.863 14.33 -4.5 95 95 81 96 278 30.7 6.035 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5591 1544.4 3.0 scans 83% TIC 1.2% 0.0777% 805 0.7 165 80215 0.129% 1047898 1046131 1738467 0-1 0.998 14.69 -8.8 92 91 91 91 409 9.9 0.359 -0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1044 Dodecanol 14.7127 1554.6 2.7 scans 78% TIC 2.0% 0.0369% 820 0.5 120 49339 0.131% 497942 470647 1765420 4-2 0.896 14.24 31.2 95 97 87 97 243 65.4 29.821 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1118 Phenylalanine 15.5366 1609.7 2.8 scans 76% TIC 7.7% 0.00942% 898 1.6 64 12824 0.0508% 127021 127021 684606 0-0 0.933 15.66 -8.5 88 90 75 90 294 0.0 0.000 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1795 1654.3 2.8 scans 78% 290 m/z 1.6% 0.0350% 959 1.7 113 61669 472032 472032 0-1 8: 290 291 292 158 131 392 144 115 0.964 16.28 -6.8 94 93 85 96 392 15.7 1.926 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN TAB_REP6-N1042 Ribose 16.2857 1661.7 2.8 scans 68% TIC 5.3% 0.0195% 969 1.9 81 18573 0.0722% 263938 195593 973003 0-3 0.995 16.10 12.7 87 87 81 88 307 23.3 8.242 0.183 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1096 Putrescine 17.1401 1722.1 2.7 scans 74% 174 m/z 2.4% 0.0188% 1051 0.9 87 40406 254330 254330 1-0 10: 174 175 176 214 86 59 200 130 172 100 0.988 17.25 -7.9 88 86 71 91 458 0.0 0.000 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1010 Glycerol-P 17.4526 1744.9 2.5 scans 93% TIC 0.31% 0.462% 1080 1.2 450 314870 0.472% 6234246 6143104 6360904 0-1 0.976 16.97 35.4 96 99 97 99 445 67.1 2.226 0.485 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5368 1751.1 2.5 scans 73% 217 m/z 1.7% 0.0380% 1088 1.1 132 55979 0.181% 512409 474121 2439245 0-1 16: 217 73 218 147 219 450 191 133 305 257 74 148 169 149 129 451 1.000 17.63 -6.9 84 83 75 83 450 18.6 1.996 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1086 Fructofuranose 18.0481 1788.4 2.7 scans 87% 73 m/z 0.86% 0.0934% 1137 1.1 200 115714 1259568 1208093 1-1 20: 73 217 437 147 218 438 219 74 439 103 191 257 129 148 133 230 215 189 149 205 0.999 18.13 -6.2 89 88 87 91 437 49.8 6.220 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4080 1815.3 3.9 scans 96% 73 m/z 0.032% 7.35% 1171 0.5 1436 3111334 99078276 96482370 1-1 20: 73 135 76 120 119 132 149 50 136 62 74 78 58 133 66 118 213 90 77 121 0.995 17.91 37.1 96 99 98 100 327 134.2 0.875 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1012 Phytol 18.5332 1824.9 2.7 scans 98% 68 m/z 0.16% 1.28% 1183 0.8 729 600932 17278097 16734396 1-1 20: 68 95 82 57 55 69 123 67 81 83 71 97 96 109 124 111 56 79 53 70 1.000 18.04 36.8 95 99 99 99 278 39.2 0.289 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1016 Hexadecene 18.6058 1830.4 5.0 scans 92% TIC 1.2% 0.108% 1190 2.1 209 78541 8.43% 1468896 1468896 113606815 0-0 0.997 18.10 38.0 86 87 93 97 280 27.5 1.743 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6363 1832.7 2.7 scans 75% 285 m/z (70) 2.5% 0.0612% 1193 1.0 151 39849 1.83% 825381 720470 24661978 13-1 19: 285 117 75 132 129 145 286 131 118 74 116 133 76 241 300 287 61 130 257 0.985 18.73 -7.0 94 95 87 95 300 14.0 0.862 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1076 Pregnane?? 18.7647 1842.5 2.6 scans 79% 345 m/z 2.3% 0.0356% 1205 1.1 129 43391 479893 462251 1-0 18: 345 73 255 346 147 204 347 191 256 74 334 148 133 257 205 215 419 435 0.997 18.86 -7.2 86 86 79 86 537 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1074 Adenine 18.8352 1847.9 2.9 scans 12% 264 m/z (81 159) 0.59% 0.108% 1212 1.2 200 168854 0.207% 1465653 1440411 2789634 0-2 20: 264 73 279 265 266 192 280 91 242 74 206 281 180 237 121 59 100 164 267 270 0.828 18.94 -8.0 86 89 63 96 415 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8405 1848.3 2.7 scans 80% 81 m/z (264) 0.39% 0.620% 1212 1.0 498 255802 8357087 7750537 1-10 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 53 56 111 278 0.992 18.58 19.9 94 96 97 97 278 58.7 1.388 0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8405 1848.3 2.7 scans 94% 81 m/z 0.38% 0.708% 1212 1.0 539 260067 9546517 8853639 1-10 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 53 56 111 278 0.999 18.87 -2.3 96 93 96 98 278 58.0 1.157 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1072 Fructose 18.9352 1855.5 2.6 scans 91% 73 m/z 0.30% 0.297% 1221 1.1 361 325260 4007045 3828002 1-1 20: 73 103 217 307 147 308 133 218 277 74 104 205 117 189 309 89 148 364 219 75 0.996 19.03 -7.5 95 94 95 94 364 32.9 0.834 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1070 Fructose 19.0540 1864.6 2.9 scans 72% 73 m/z 0.37% 0.280% 1232 1.3 320 264518 0.449% 3783853 3622541 6050944 1-1 20: 73 103 307 217 147 308 218 277 74 309 104 89 205 262 133 364 117 219 148 189 0.966 19.19 -10.7 91 90 90 90 554 13.0 0.165 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1068 Galactopyranose 19.2066 1876.2 2.9 scans 85% 204 m/z 0.85% 0.0814% 1247 1.0 192 117287 0.414% 1097983 1047597 5579267 2-0 20: 204 73 191 147 205 217 206 192 129 218 193 74 133 189 103 117 148 149 219 131 0.997 19.32 -8.3 91 89 89 91 435 10.0 0.270 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN BRA4_R~2-N1004 Galactose 19.2571 1880.1 2.6 scans 86% 73 m/z 0.74% 0.134% 1252 1.0 236 133479 0.438% 1816741 1816741 5902703 0-0 20: 73 319 205 147 160 320 217 103 206 321 133 117 74 229 189 148 207 161 157 129 0.995 19.36 -8.0 94 92 91 94 364 14.5 0.377 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4634 1895.8 2.9 scans 91% TIC 0.15% 0.345% 1271 1.2 355 627182 0.745% 4662517 4325715 10039985 3-0 0.999 19.49 -2.0 94 93 95 94 338 63.9 3.248 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.8969 1930.5 2.7 scans 50% 299 m/z 6.1% 0.0195% 1313 1.0 90 16324 262953 262953 0-0 3: 299 132 300 0.948 19.97 -6.1 84 80 74 94 314 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2683 1960.3 2.5 scans 85% 204 m/z 0.55% 0.134% 1348 1.0 244 180807 0.137% 1808092 1688371 1846279 1-1 19: 204 73 191 205 147 217 206 192 218 74 129 189 103 193 219 133 148 117 149 0.998 20.41 -11.7 92 90 92 92 217 53.9 4.872 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7691 2000.6 2.9 scans 93% TIC 0.91% 0.301% 1395 1.4 329 109105 0.315% 4068922 3860698 4245095 1-2 0.996 20.27 40.4 90 92 97 99 322 20.8 0.402 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1038 C16:0 21.1311 2031.0 2.7 scans 98% 117 m/z 0.047% 3.52% 1430 0.7 1192 2085333 47478025 47463712 1-0 20: 117 313 73 75 132 129 145 314 55 131 57 118 69 133 328 201 74 116 315 130 1.000 20.62 42.7 95 99 99 100 328 128.3 1.159 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6530 2074.9 2.8 scans 89% 73 m/z (79) 0.85% 0.173% 1479 0.9 257 117467 2331431 2315997 2-0 20: 73 305 217 147 318 191 306 319 265 204 218 307 133 148 291 432 320 219 129 367 0.997 21.75 -8.0 94 95 93 95 507 15.8 0.380 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1633 2118.5 2.7 scans 39% 396 m/z 3.4% 0.0201% 1528 1.2 93 28989 271533 266314 0-1 11: 396 219 397 381 398 220 307 382 221 249 293 0.949 22.19 -2.0 91 91 57 91 396 50.1 29.043 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2643 2127.3 3.8 scans 71% TIC 4.4% 0.0510% 1538 0.7 130 22592 0.198% 688544 652857 2668345 0-1 0.953 22.33 -5.7 93 93 87 93 342 13.0 1.007 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1040 Phytol 22.6084 2157.3 2.8 scans 97% 143 m/z 0.055% 1.12% 1570 1.0 660 1814613 15096863 14295555 8-0 20: 143 73 75 144 123 81 57 55 69 145 124 95 71 103 83 82 97 74 67 68 1.000 22.08 45.8 82 83 91 97 181 9.7 0.022 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1042 C18:2 23.0366 2194.7 3.7 scans 82% 75 m/z (342) 0.30% 1.21% 1611 1.0 584 324077 6.55% 16386745 14913291 88271013 2-0 20: 75 67 337 81 55 95 129 79 82 117 96 68 54 80 69 262 150 93 338 109 0.992 22.53 43.9 90 97 97 99 352 33.1 0.321 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1313 2203.1 3.5 scans 95% 75 m/z 0.060% 6.05% 1620 0.5 1389 1660180 6.93% 81569865 78388409 93392080 0-3 20: 75 79 73 95 67 93 108 81 129 80 55 335 91 117 107 94 121 77 135 149 0.995 23.12 1.3 100 99 99 99 350 92.4 0.442 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1036 C18:0 23.3902 2226.8 2.8 scans 94% 341 m/z 0.20% 0.869% 1645 0.9 581 477009 11713505 11423595 1-1 20: 341 117 73 75 132 129 145 342 55 57 356 133 118 131 69 74 343 201 116 297 1.000 22.89 45.0 94 99 99 100 356 69.7 1.440 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1018 myo-Inositol 25.2094 2396.8 3.1 scans 78% TIC 1.0% 0.184% 1817 1.1 239 96668 0.213% 2483573 2012609 2870492 4-6 0.979 25.21 0.0 97 96 93 98 470 15.6 0.426 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6103 2436.4 3.4 scans 85% 91 m/z 0.31% 0.218% 1856 1.2 261 316864 2941779 2694653 2-4 20: 91 117 194 207 92 115 65 208 193 77 103 104 312 118 78 51 116 179 128 195 0.989 25.61 0.1 99 99 99 99 312 29.5 1.274 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4184 2517.1 5.3 scans 100% 495 m/z 0.012% 12.7% 1932 1.0 1699 8041702 172190214 167532381 1-1 20: 495 496 497 498 508 76 405 167 509 499 452 581 286 609 408 269 313 453 380 70 1.000 26.35 7.1 96 95 98 95 495 249.5 2.171 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5541 2531.1 3.1 scans 50% 73 m/z 1.6% 0.0614% 1945 1.3 167 60591 2.80% 828374 828374 37734174 0-0 20: 73 512 455 247 513 456 57 514 483 248 349 263 457 423 484 497 249 175 205 189 0.991 26.57 -2.0 92 91 77 92 512 58.9 12.432 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9276 2569.7 2.7 scans 96% 371 m/z 0.058% 1.90% 1981 0.7 881 1706424 25712754 25034681 1-1 20: 371 73 372 147 129 57 205 203 55 239 103 71 373 116 459 75 145 101 117 85 1.000 26.39 55.1 90 98 98 100 459 105.1 1.422 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN LQC1-N1008 Sucrose 27.4169 2620.9 2.8 scans 65% 361 m/z 0.94% 0.126% 2027 1.1 227 105828 1700801 1666055 0-1 18: 361 217 362 147 437 103 363 271 218 451 438 169 243 319 191 219 439 364 0.834 27.59 -18.6 96 96 85 96 437 39.9 3.096 -0.174 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7248 2763.8 2.7 scans 94% 399 m/z 0.11% 1.00% 2152 0.8 639 839091 13609188 13416984 1-0 20: 399 73 400 147 57 129 205 203 55 103 71 401 487 116 145 75 101 117 69 85 1.000 28.19 59.9 89 98 98 99 487 76.0 1.416 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1034 Nonacosane 29.5013 2851.1 2.8 scans 55% 57 m/z 1.6% 0.0522% 2225 1.2 153 61094 0.0614% 704731 662905 827457 1-3 18: 57 71 85 55 99 56 365 83 70 97 113 127 58 86 364 84 141 98 0.992 29.50 -0.4 90 90 95 89 408 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8264 2887.7 2.8 scans 81% 57 m/z 0.42% 0.235% 2256 1.1 303 234001 3173628 2953543 1-5 20: 57 71 85 55 99 69 83 56 97 70 113 84 127 98 111 141 58 72 126 112 0.995 29.83 -0.0 98 97 99 98 408 18.4 0.368 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4578 2962.0 2.9 scans 74% 57 m/z 0.47% 0.218% 2316 0.9 287 208925 0.231% 2948314 2717803 3113069 3-2 20: 57 71 56 85 393 55 83 69 99 97 70 113 392 394 127 111 58 84 141 86 0.997 30.46 -0.6 99 98 98 99 393 60.6 4.479 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.1996 3050.1 2.9 scans 80% 57 m/z 0.34% 0.311% 2387 1.0 351 293862 0.359% 4201126 3999967 4838060 1-3 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 58 421 98 72 0.996 31.21 -1.4 98 97 99 97 393 47.9 1.865 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1048 Hentriacontane 31.5152 3087.6 2.9 scans 90% 57 m/z 0.087% 1.29% 2417 0.8 698 1141305 17407093 16010060 1-4 20: 57 71 85 55 99 69 83 97 56 70 113 127 84 111 141 98 112 155 58 126 1.000 31.53 -1.9 100 99 100 99 436 37.2 0.283 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8035 3121.8 2.8 scans 74% 502 m/z 0.40% 0.286% 2444 1.1 336 244938 3861144 3738750 1-1 13: 502 237 503 236 467 238 504 468 277 223 221 239 505 0.976 31.79 1.4 93 89 90 98 502 145.7 18.781 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9287 3136.7 3.0 scans 44% 129 m/z (73) 1.2% 0.251% 2456 1.1 306 78778 3395048 3382239 0-1 19: 129 329 368 458 353 95 330 121 107 81 105 328 369 145 119 131 55 247 91 0.932 31.87 7.3 90 93 84 93 458 45.5 2.216 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1044 3157.5 3.0 scans 75% 57 m/z 0.31% 0.325% 2473 1.0 356 312690 4390984 4191257 1-1 20: 57 71 56 85 421 55 69 83 97 99 70 422 420 113 111 127 84 58 141 72 0.992 32.11 -0.7 99 98 99 99 421 73.1 4.224 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3065 3181.5 3.0 scans 57% 57 m/z 0.51% 0.203% 2492 1.2 285 194459 2748102 2534126 3-6 20: 57 71 85 55 99 69 83 97 56 70 113 127 111 84 98 141 86 140 58 112 0.952 32.33 -2.4 83 86 95 87 785 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1004 Campesterol 32.7715 3236.8 4.0 scans 69% TIC 0.63% 0.583% 2536 1.3 441 158716 0.625% 7860620 7364394 8422807 0-1 0.885 32.21 66.7 86 97 88 98 472 61.5 1.949 0.562 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0925 3274.9 3.5 scans 76% TIC 0.16% 0.855% 2567 1.1 523 624330 5.83% 11534146 10322174 78567940 0-9 0.947 33.10 -0.5 88 87 97 93 515 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN WTF2-N1034 b-Sitosterol 33.4702 3319.7 3.4 scans 86% 129 m/z 0.28% 1.46% 2603 0.7 677 344922 1.79% 19691874 17294727 24122918 12-3 20: 129 357 396 73 486 381 95 57 75 119 121 81 107 397 55 105 145 358 356 159 1.000 32.88 70.4 87 99 99 99 486 92.3 1.862 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5796 3332.7 3.1 scans 62% 386 m/z 1.5% 0.340% 2613 0.9 340 65081 0.489% 4592524 4054019 6590004 3-4 5: 386 296 257 387 213 0.979 33.58 -0.6 92 92 92 95 505 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7343 3351.1 3.5 scans 69% 218 m/z 0.32% 0.421% 2628 0.9 367 308435 5683430 5333545 1-4 16: 218 203 190 219 189 95 107 135 121 109 175 119 105 94 136 137 0.992 34.08 -41.3 87 91 92 95 498 21.7 0.350 -0.348 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8827 3368.7 3.1 scans 4.1% 441 m/z 9.2% 0.00475% 2642 0.8 42 10795 64095 64095 0-0 3: 441 442 308 0.691 33.80 10.3 84 87 56 87 646 6.7 2.580 0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5708 3450.5 3.8 scans 36% 596 m/z 1.4% 0.0760% 2707 0.9 151 67668 1024484 968775 1-3 17: 596 597 598 331 316 302 318 315 356 317 303 332 287 357 300 257 297 0.958 34.47 11.8 96 96 87 97 596 76.6 25.679 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN EXBLK5S-N1006 Contamination 6.3743 1048.4 3.3 scans 25% 207 m/z 1.7% 0.0242% 27 2.6 103 57430 546173 511140 1-6 9: 207 295 208 209 296 191 297 193 279 0.473 6.63 -14.9 93 94 60 94 295 35.7 12.126 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1192 Contamination 7.9947 1144.5 2.6 scans 95% 73 m/z 0.091% 0.707% 181 0.8 635 1090953 15942309 14350597 4-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 149 100 103 131 134 221 0.998 7.99 0.3 98 97 97 98 235 128.0 4.068 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1188 Contamination 8.3198 1163.8 4.0 scans 50% 281 m/z 5.5% 0.0121% 212 2.0 71 17994 274847 266499 1-2 12: 281 147 369 282 283 265 370 148 207 371 249 149 0.642 8.41 -5.6 93 93 81 95 369 21.3 8.868 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1186 Phosphate 8.5250 1175.9 2.2 scans 97% 241 m/z 0.037% 0.736% 232 0.8 746 2699896 16608093 15818073 1-1 20: 241 242 133 73 211 163 256 243 195 135 59 98 89 147 119 75 137 134 121 257 1.000 8.56 -2.1 100 99 99 100 299 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN VEN77_S6-N1002 Glycerol 10.0496 1265.5 5.4 scans 97% 299 m/z 0.014% 4.88% 377 0.4 1278 6922186 110205046 109980464 1-0 20: 299 73 300 314 301 133 283 207 147 315 211 193 191 205 316 135 302 74 225 75 1.000 10.09 -2.5 99 97 93 99 299 729.3 32.747 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6704 1301.8 3.1 scans 88% 199 m/z 1.3% 0.0922% 436 0.8 216 73761 0.0989% 2078421 1906612 2229029 6-2 20: 199 75 117 73 145 69 55 132 129 200 131 67 74 61 79 76 81 118 125 53 0.998 10.73 -3.8 91 86 77 99 209 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0019 1321.8 2.7 scans 73% 184 m/z 2.7% 0.0227% 467 0.9 118 36577 0.0244% 511936 483698 549932 1-1 20: 184 134 285 73 174 77 86 185 100 59 286 227 172 135 186 130 175 110 74 178 0.990 11.06 -3.7 97 96 92 96 285 36.7 9.609 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3764 1344.3 4.7 scans 91% TIC 0.55% 0.136% 503 0.6 222 180235 0.187% 3079304 2918443 4214646 2-0 0.990 11.45 -4.2 97 96 96 99 145 62.7 7.965 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2637 1524.8 2.6 scans 49% 263 m/z (71) 0.95% 0.0321% 777 1.0 141 104261 724265 687357 1-2 17: 263 264 278 174 239 265 175 342 279 447 74 176 448 133 343 240 207 0.992 14.33 -4.2 85 83 77 93 278 34.9 6.152 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5551 1544.2 5.3 scans 65% TIC 2.3% 0.0242% 805 3.1 117 42609 0.0695% 547637 547230 1566406 0-1 0.958 14.62 -4.4 88 87 86 89 409 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5625 1544.7 2.6 scans 71% 73 m/z 2.5% 0.0217% 806 0.9 114 39629 491148 453228 4-1 20: 73 292 147 220 205 217 293 103 148 294 221 74 149 133 206 189 102 319 130 291 0.991 14.69 -8.5 89 89 86 90 409 0.0 0.000 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6614 1551.2 2.7 scans 44% 174 m/z 6.2% 0.00425% 815 0.9 52 15950 0.00459% 95816 91415 103450 1-0 6: 174 175 86 176 250 59 1.000 14.16 32.9 83 86 76 89 250 9.7 3.474 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1044 Dodecanol 14.7161 1554.8 2.7 scans 65% 243 m/z 2.2% 0.0180% 820 1.0 107 44353 407319 401719 0-1 13: 243 244 103 89 97 245 101 111 115 129 59 76 67 0.927 14.24 31.4 93 95 87 97 243 58.4 29.588 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1839 1654.6 3.2 scans 74% TIC 1.3% 0.0244% 960 1.5 125 74851 0.0897% 550060 550060 2021678 0-0 0.971 16.28 -6.5 91 87 79 98 392 17.0 1.853 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5312 1678.8 2.9 scans 66% 55 m/z 3.2% 0.0149% 993 1.0 103 31055 0.0364% 337238 337238 820391 0-0 19: 55 83 56 97 70 69 82 84 111 68 98 127 140 113 112 125 96 67 168 0.975 16.63 -6.6 86 86 87 86 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1010 Glycerol-P 17.4687 1746.1 2.5 scans 96% 357 m/z 0.043% 2.29% 1082 0.6 1209 2293815 51660751 48626294 1-1 20: 357 299 73 358 147 315 300 370 445 211 359 103 101 301 133 129 256 387 218 328 1.000 16.97 36.6 96 99 99 99 445 190.1 2.473 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5444 1751.6 3.0 scans 76% TIC 0.89% 0.0490% 1089 1.9 182 111688 2.15% 1106208 1106208 48457161 0-0 1.000 17.63 -6.4 87 86 80 87 450 25.2 1.906 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4167 1816.0 4.1 scans 89% 73 m/z 0.030% 4.32% 1172 0.5 1336 3272414 97555105 91894892 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 78 58 118 133 66 213 90 121 77 0.936 17.91 37.8 95 99 93 99 327 131.6 0.972 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1012 Phytol 18.5451 1825.8 2.8 scans 97% 68 m/z 0.098% 1.38% 1184 0.7 903 1013908 31284204 30103609 1-1 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 37.7 95 98 99 99 278 51.3 0.323 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1016 Hexadecene 18.6124 1830.9 2.7 scans 86% 70 m/z 0.55% 0.146% 1190 1.1 294 181223 1.15% 3296436 3091541 25918946 0-1 20: 70 69 71 55 57 83 56 111 125 126 97 280 84 85 140 67 112 82 98 68 0.996 18.10 38.5 84 83 93 97 280 42.6 2.105 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6408 1833.1 2.7 scans 56% 285 m/z (70) 1.9% 0.0388% 1193 1.1 153 51364 875932 819192 1-1 15: 285 117 132 129 286 145 118 130 116 76 287 300 201 119 257 0.947 18.73 -6.6 93 95 82 95 300 15.0 0.962 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8460 1848.7 2.8 scans 94% TIC 0.38% 0.411% 1213 1.0 482 258063 0.493% 9281773 8722488 11111340 1-3 0.996 18.87 -1.9 94 92 96 95 278 53.5 1.229 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1002 Phytol 18.8min 18.8460 1848.7 2.7 scans 95% 82 m/z 0.38% 0.418% 1213 1.1 484 259780 9433064 8760840 1-10 20: 82 81 95 68 57 123 69 55 67 83 79 71 96 124 97 264 109 53 56 111 0.997 18.84 0.4 95 93 98 95 278 53.7 1.229 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9396 1855.9 2.8 scans 79% 73 m/z 0.80% 0.0743% 1222 1.0 208 123552 0.0916% 1676275 1612182 2064500 3-1 20: 73 103 307 217 147 308 218 277 133 205 104 189 74 309 117 89 364 219 172 148 0.997 18.40 40.9 92 96 97 98 364 19.7 0.891 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1018 Fructose 19.0585 1865.0 2.8 scans 42% 103 m/z (81) 0.94% 0.0669% 1233 1.2 193 105281 1507856 1390455 1-4 15: 103 307 217 308 218 277 309 364 205 89 104 262 202 173 172 0.798 18.52 40.7 87 92 92 98 364 17.7 0.838 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0890 1867.3 2.8 scans 93% 81 m/z 0.28% 0.515% 1236 0.8 546 349396 11615867 11222170 1-1 20: 81 68 95 57 123 69 55 83 79 67 97 71 109 96 124 53 278 111 56 110 0.987 18.58 38.9 91 93 98 99 278 72.5 1.765 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN BRA4_R~2-N1004 Galactose 19.2595 1880.3 2.7 scans 66% 319 m/z 1.6% 0.0352% 1252 1.0 150 59934 0.0380% 795258 789712 856452 1-0 15: 319 205 160 147 320 103 321 206 148 207 161 189 89 229 157 0.989 19.36 -7.8 94 93 89 94 364 7.7 0.262 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4710 1896.4 2.7 scans 92% 174 m/z 0.062% 0.470% 1272 1.1 531 1601282 10612501 9660669 1-9 19: 174 73 175 86 338 176 100 59 339 74 179 130 161 340 177 131 149 250 264 0.999 19.49 -1.4 95 93 95 95 338 100.5 3.592 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9035 1931.0 2.8 scans 15% 299 m/z (204) 5.5% 0.0128% 1313 1.1 87 17880 0.0132% 288536 278470 297504 1-0 8: 299 132 300 145 231 146 201 89 0.792 19.97 -5.6 82 87 55 93 314 10.0 1.312 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9087 1931.4 2.8 scans 72% 204 m/z 0.76% 0.0657% 1314 1.2 191 130559 1481993 1384878 2-2 13: 204 217 205 159 206 218 103 189 191 160 305 291 203 0.967 19.91 -0.3 94 94 93 95 361 6.5 0.115 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7789 2001.4 3.0 scans 92% TIC 0.37% 0.451% 1396 1.0 498 265257 0.485% 10165271 9345683 10931034 2-3 0.999 20.27 41.2 84 85 95 98 322 32.1 0.414 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1038 C16:0 21.1514 2032.7 3.1 scans 97% 313 m/z 0.028% 3.88% 1432 0.4 1406 3462619 87574326 84091627 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 201 69 74 315 116 285 1.000 20.62 44.4 94 99 99 100 328 159.6 1.290 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6575 2075.2 2.8 scans 45% 305 m/z 3.3% 0.0238% 1480 0.9 119 29825 536449 519621 1-1 17: 305 217 318 191 306 265 319 218 307 320 432 192 433 291 266 367 205 0.963 21.75 -7.7 87 88 74 88 507 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9531 2100.1 2.7 scans 61% 327 m/z 1.6% 0.0528% 1508 1.0 174 58894 1191418 1006018 3-10 10: 327 132 145 328 342 329 201 299 146 116 0.966 22.33 -32.9 94 97 91 97 342 23.8 1.864 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1772 2119.7 11.5 scans 70% TIC 0.72% 0.101% 1529 1.1 221 138636 0.260% 2297361 2196643 5859936 1-0 0.985 22.19 -0.8 94 93 85 94 396 95.6 18.756 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1040 Phytol 22.6150 2157.9 3.2 scans 92% 143 m/z 0.071% 0.530% 1571 0.9 534 1389933 0.537% 11953417 11613353 12103021 3-1 19: 143 73 75 144 123 81 57 55 124 145 69 95 103 82 97 67 83 74 68 0.999 22.08 46.4 81 83 90 97 181 7.9 0.022 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1042 C18:2 23.0558 2196.4 >6 scans 59% 337 m/z (342) 0.31% 0.969% 1613 1.0 523 316305 4.83% 21842449 21497309 108859575 1-0 20: 337 75 81 67 82 55 96 54 220 68 150 110 178 109 124 69 135 164 123 136 0.987 22.53 45.6 84 92 88 94 352 35.7 0.464 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1705 2206.7 5.1 scans 95% 75 m/z 0.039% 8.22% 1624 0.3 1658 2521312 9.38% 185336829 182005395 211408450 0-2 20: 75 79 73 95 93 67 108 81 80 91 107 129 55 94 121 117 135 335 77 149 0.998 23.12 4.9 97 96 99 96 350 117.0 0.498 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1036 C18:0 23.4031 2228.0 2.7 scans 92% 341 m/z 0.11% 0.849% 1646 0.8 726 850826 19151302 18769752 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 201 343 74 297 116 0.999 22.89 46.2 93 99 99 100 356 91.4 1.588 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN N479_R~1-N1006 17-Methyltestosterone 23.8544 2269.2 3.1 scans 41% 143 m/z 1.2% 0.0633% 1689 1.2 183 78337 0.0720% 1428594 1363735 1622751 1-4 14: 143 360 345 293 144 407 265 257 294 346 361 270 255 181 0.895 23.88 -2.1 87 88 75 88 450 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1018 myo-Inositol 25.2128 2397.1 3.2 scans 81% TIC 0.46% 0.299% 1818 1.2 359 214065 0.398% 6741992 5201786 8970209 3-11 0.987 25.21 0.3 98 96 96 100 470 25.1 0.491 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6169 2437.0 3.2 scans 61% 91 m/z 0.53% 0.0722% 1856 1.3 189 185605 0.0881% 1628995 1523031 1985617 5-5 18: 91 117 194 207 92 208 65 115 193 104 312 118 78 102 51 128 195 179 0.959 25.61 0.7 97 97 96 98 312 21.9 1.342 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2987 2504.7 3.6 scans 42% TIC 1.3% 0.0124% 1921 1.1 130 71820 0.0400% 279586 279586 901529 0-0 0.933 25.86 44.0 88 96 90 96 361 3.5 0.000 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4123 2516.5 3.4 scans 97% 204 m/z 0.013% 4.36% 1932 0.5 1478 7180785 98446188 96444601 2-0 20: 204 73 205 217 147 495 206 117 363 273 129 191 496 103 130 74 319 75 231 143 1.000 26.35 6.5 97 95 98 96 495 229.4 2.426 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5596 2531.7 2.8 scans 51% 512 m/z (218) 1.2% 0.0644% 1946 0.8 194 81941 1453160 1453160 0-0 15: 512 455 247 513 456 483 263 514 248 457 484 497 409 234 235 0.958 26.57 -1.4 93 95 87 96 512 61.3 9.971 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9321 2570.2 2.9 scans 94% 371 m/z 0.044% 1.48% 1981 0.7 936 2234275 33464973 32615456 1-1 20: 371 73 372 147 129 57 205 203 239 55 103 373 71 459 116 75 145 117 101 85 1.000 26.39 55.6 90 97 97 100 459 114.1 1.492 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1008 Sucrose 27.4193 2621.2 2.9 scans 47% 361 m/z (397) 0.93% 0.0832% 2027 1.0 209 107412 0.0919% 1876080 1761097 2071262 1-15 17: 361 362 217 437 363 103 271 451 438 218 243 169 439 452 364 272 230 0.961 27.59 -18.3 95 96 89 96 437 37.3 3.196 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN LQC1-N1010 Sucrose 27.4193 2621.2 2.9 scans 38% 361 m/z 0.93% 0.0615% 2027 1.0 189 107411 0.0679% 1386240 1301279 1530345 1-15 17: 361 362 217 437 363 103 271 451 438 218 243 169 439 452 364 272 230 0.734 27.58 -17.0 97 97 74 97 437 37.2 3.898 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7293 2764.3 2.7 scans 93% 399 m/z 0.070% 0.903% 2152 0.8 753 1422059 20352360 19708376 1-1 20: 399 400 73 147 129 57 205 203 55 401 103 487 71 116 145 75 101 117 267 85 1.000 28.19 60.4 89 98 98 100 487 93.4 1.542 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1032 Sterol 29.17min 2814 29.1733 2814.2 3.5 scans 41% 99 m/z 0.72% 0.0561% 2194 1.4 161 138421 0.0605% 1264501 1081653 1363562 7-1 14: 99 71 100 269 283 356 257 98 196 185 255 355 140 241 0.966 29.17 0.5 91 91 89 90 355 13.9 0.747 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1034 Nonacosane 29.5089 2852.0 2.9 scans 54% 57 m/z 0.85% 0.0667% 2226 1.1 207 116336 0.0736% 1504931 1383379 1658813 4-3 18: 57 71 85 55 99 56 365 83 70 113 393 127 366 364 84 98 141 58 0.988 29.50 0.5 96 96 98 95 408 3.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8341 2888.5 2.9 scans 77% 57 m/z 0.28% 0.213% 2257 1.0 360 355715 4816009 4423916 2-4 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 98 141 58 155 140 72 0.995 29.83 0.8 99 98 99 100 408 21.9 0.371 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1038 Hexacosanol 30.1792 2928.9 3.0 scans 2.9% 439 m/z 12% 0.00172% 2290 0.9 31 7905 38917 38917 0-0 2: 439 440 0.717 30.17 0.8 82 93 43 93 439 24.6 61.470 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4191 2957.4 3.2 scans 63% 193 m/z (57) 0.67% 0.218% 2312 1.2 326 148124 4929929 4627407 2-2 15: 193 119 105 163 120 176 194 91 171 515 412 247 325 106 158 0.989 30.36 7.3 84 85 94 88 529 13.4 0.170 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4675 2963.1 3.2 scans 85% TIC 0.18% 0.364% 2317 0.9 461 550068 0.623% 8224030 7930594 14041308 0-2 0.999 30.46 0.5 99 97 99 100 393 99.9 4.695 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2104 3051.3 3.2 scans 76% 57 m/z 0.21% 0.318% 2388 0.9 420 457209 7177397 6890456 2-1 20: 57 71 85 55 99 56 69 83 97 393 70 113 127 111 84 141 421 155 394 392 0.995 31.21 -0.2 99 99 99 99 393 61.0 2.109 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1048 Hentriacontane 31.5281 3089.1 3.0 scans 91% 57 m/z 0.050% 1.41% 2418 0.7 893 1968567 31878994 31520278 0-3 20: 57 71 85 55 99 69 83 97 113 70 56 127 111 84 141 98 155 112 169 140 1.000 31.53 -0.4 100 99 100 100 436 50.6 0.322 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8133 3123.0 3.0 scans 67% 502 m/z 0.30% 0.224% 2445 0.9 358 329654 5050851 5047399 0-1 14: 502 237 503 236 467 504 238 468 277 221 239 223 505 208 0.986 31.79 2.6 92 88 89 99 502 159.2 19.725 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9406 3138.1 3.0 scans 76% 129 m/z 0.52% 0.343% 2457 1.0 457 189769 7746522 7520706 1-0 19: 129 329 73 368 458 353 75 95 330 119 147 107 105 328 121 81 145 247 369 0.997 31.87 8.7 84 78 87 95 458 57.4 1.574 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1152 3158.8 3.0 scans 76% 57 m/z 0.13% 0.497% 2474 0.8 535 745803 11214442 10622766 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 111 127 84 141 58 155 0.996 32.11 0.6 98 97 99 99 421 116.8 4.776 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3152 3182.6 3.0 scans 47% 57 m/z 0.32% 0.204% 2493 0.9 350 307273 4609246 4408793 1-2 16: 57 71 85 99 83 97 56 113 70 127 84 141 98 112 58 140 0.945 32.33 -1.3 87 88 96 91 785 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1004 Campesterol 32.7834 3238.2 4.4 scans 60% TIC 0.46% 0.505% 2537 1.1 483 213558 0.526% 11387317 10670483 11855101 0-1 0.796 32.21 68.1 84 96 87 98 472 69.6 2.077 0.573 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1046 Stigmasterol 32.9812 3261.7 3.6 scans 35% 83 m/z (204 309) 0.16% 1.13% 2556 0.6 714 597460 1.16% 25580214 23279482 26144329 1-1 20: 83 255 394 484 55 351 159 355 145 97 485 213 139 379 395 354 253 256 343 352 0.846 32.98 -0.1 88 94 78 93 665 18.3 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1002 Stigmasterol 32.9812 3261.7 3.6 scans 37% 83 m/z (204) 0.17% 1.22% 2556 0.6 742 569745 1.26% 27643182 25156902 28398150 1-1 20: 83 255 394 484 55 351 159 355 145 97 485 213 139 379 395 354 253 256 343 352 0.853 32.42 66.8 81 96 76 94 665 55.2 0.552 0.562 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1043 3276.3 3.0 scans 79% 57 m/z 0.085% 0.846% 2568 0.8 691 1172573 19081442 17972010 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 82 58 0.993 33.10 0.9 89 86 97 92 515 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN WTF2-N1034 b-Sitosterol 33.4863 3321.6 3.5 scans 82% 129 m/z 0.17% 1.45% 2604 0.6 829 577233 1.69% 32847156 30210979 38089582 12-3 20: 129 357 396 486 381 73 95 107 75 57 121 119 358 145 81 397 105 356 55 159 0.998 32.88 72.3 86 98 98 99 486 118.1 2.031 0.609 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5904 3334.0 3.3 scans 40% 386 m/z 1.8% 0.174% 2614 1.0 290 53251 0.314% 3943942 3545702 7076999 3-3 7: 386 296 387 281 257 371 255 0.960 33.58 0.7 88 87 88 92 505 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7483 3352.8 3.6 scans 51% 218 m/z 0.22% 0.310% 2629 0.9 391 452624 6992232 6762943 1-2 15: 218 203 219 190 189 95 135 119 107 175 121 105 94 136 137 0.845 34.08 -39.6 86 91 83 95 498 25.4 0.423 -0.334 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8882 3369.4 3.4 scans 20% 441 m/z 1.0% 0.0477% 2642 1.1 152 97627 1076273 1074817 0-1 8: 441 442 308 646 443 647 427 329 0.929 33.80 11.0 96 96 86 96 646 24.5 2.579 0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2154 3408.2 3.6 scans 26% 99 m/z 0.97% 0.0872% 2673 1.0 202 102241 1965758 1819413 2-3 9: 99 499 169 500 100 509 383 451 501 0.938 34.22 -0.5 93 92 88 95 499 51.0 6.367 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5795 3451.5 3.8 scans 27% 596 m/z 0.69% 0.101% 2708 0.9 209 143134 2287940 2246659 1-1 14: 596 597 598 316 318 302 599 356 315 303 300 357 343 304 0.903 34.47 12.8 96 95 88 98 596 104.9 25.184 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN EXBLK5S-N1006 Contamination 6.3805 1048.8 2.0 scans 72% 207 m/z 0.66% 0.0343% 28 1.0 174 151067 0.0432% 844663 761522 1063655 4-0 16: 207 73 295 208 209 296 191 297 279 193 177 189 192 210 298 247 0.970 6.63 -14.5 97 97 89 97 295 56.5 10.510 -0.244 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8736 1137.3 3.4 scans 37% 147 m/z (131) 5.5% 0.00682% 170 0.9 58 18029 0.189% 167928 167928 4653492 0-0 7: 147 73 66 148 72 74 149 0.951 7.79 4.7 83 84 79 90 219 0.0 0.000 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1192 Contamination 8.0325 1146.7 2.5 scans 95% 73 m/z 0.17% 0.322% 185 0.7 443 572378 7950176 7403851 5-1 19: 73 147 133 220 235 148 59 146 72 86 74 100 160 89 103 149 131 134 236 0.989 7.99 2.5 97 96 97 97 235 89.9 4.124 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1026 Cadaverine NC 8.1366 1152.9 2.3 scans 28% 174 m/z 14% 0.00190% 195 0.9 38 6796 46814 46814 0-0 2: 174 100 0.812 7.74 23.7 80 83 65 86 216 7.3 3.739 0.401 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1188 Contamination 8.3208 1163.8 2.3 scans 65% 281 m/z 1.9% 0.0184% 212 1.2 116 51625 453134 438784 1-2 17: 281 147 369 282 283 370 148 249 265 371 207 149 191 284 193 251 266 0.818 8.41 -5.6 98 97 94 98 369 37.1 10.278 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1186 Phosphate 8.5554 1177.7 2.3 scans 96% 241 m/z 0.13% 0.193% 235 1.1 368 741613 4772850 4689980 1-0 20: 241 242 133 163 73 211 256 243 135 195 98 59 89 119 147 137 134 121 181 257 0.997 8.56 -0.3 100 100 99 100 299 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1180 Benzoic acid 9.7128 1245.7 3.5 scans 50% 179 m/z 8.9% 0.00634% 345 0.5 48 11160 0.00702% 156327 140920 172844 2-0 5: 179 105 135 180 51 0.950 9.76 -2.8 92 93 83 93 194 6.7 1.947 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LACTIC~1-N1034 Glycerol 10.0253 1264.0 >4 scans 3.8% 218 m/z (299) 1.7% 0.0321% 374 1.0 116 56782 0.0835% 792139 792139 2055908 0-0 1: 218 0.536 10.11 -5.0 81 93 41 87 293 9.9 0.728 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN VEN77_S6-N1002 Glycerol 10.0695 1266.6 4.9 scans 96% 299 m/z 0.013% 4.53% 379 0.5 1288 7667534 111775191 111753063 1-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 135 302 74 225 75 59 131 0.999 10.09 -1.4 99 97 93 99 299 735.1 32.748 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6956 1303.3 3.1 scans 73% 199 m/z 1.3% 0.0732% 438 0.7 191 74442 1802697 1718877 11-1 18: 199 75 117 73 145 132 129 200 131 118 61 74 76 201 67 81 155 72 0.791 10.73 -2.3 94 91 92 99 209 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0281 1323.4 2.7 scans 52% 184 m/z 7.5% 0.00875% 470 0.9 74 13281 0.00950% 215536 200280 233906 0-1 10: 184 134 285 174 86 100 227 172 59 286 0.989 11.06 -2.1 86 86 66 89 285 20.5 7.759 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3995 1345.7 5.4 scans 88% TIC 0.60% 0.130% 505 0.6 204 166181 0.168% 3201727 2867694 4136437 3-0 0.992 11.45 -2.8 98 97 97 99 145 58.4 8.177 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN TAB_REP6-N1026 Malic acid 13.4744 1473.9 2.6 scans 68% 73 m/z 2.1% 0.0234% 702 0.9 119 47159 576337 469116 2-11 19: 73 147 233 245 190 189 148 133 191 149 74 175 335 101 55 234 131 59 72 0.889 13.53 -3.7 83 83 83 83 335 14.1 1.406 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9700 1505.4 2.8 scans 46% 156 m/z 3.0% 0.00866% 749 1.0 72 32738 213242 213242 1-0 5: 156 157 230 258 158 0.857 14.11 -9.3 94 94 87 94 273 0.0 0.000 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2825 1526.1 2.7 scans 62% 263 m/z 0.88% 0.0373% 779 1.0 152 113078 920210 869652 1-1 13: 263 264 278 239 174 265 342 447 175 279 448 343 240 0.969 14.33 -2.9 83 78 79 93 278 35.4 5.409 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5782 1545.7 2.5 scans 69% 73 m/z 1.7% 0.0289% 807 1.1 138 58802 712961 626068 5-2 20: 73 292 147 205 220 293 217 103 148 221 294 74 133 149 102 319 189 206 291 177 0.997 14.62 -2.9 93 92 89 93 409 7.5 0.299 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 2.6 scans 73% 243 m/z 1.5% 0.0238% 822 1.0 124 64421 586322 586322 1-0 12: 243 244 103 97 89 245 61 101 76 59 115 74 0.972 14.24 32.6 93 96 91 97 243 67.4 29.459 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1986 1655.7 2.9 scans 75% 290 m/z 1.1% 0.0299% 961 1.8 128 88492 0.0403% 736892 719978 992253 1-0 11: 290 291 73 292 392 158 144 131 117 59 115 0.966 16.28 -5.4 92 88 80 98 392 18.3 2.042 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5479 1679.9 2.9 scans 75% TIC 1.8% 0.0242% 994 1.0 142 54467 0.0935% 596043 596043 2302124 0-0 1.000 16.63 -5.5 90 87 94 93 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1010 Glycerol-P 17.4844 1747.3 2.9 scans 96% 357 m/z 0.044% 2.29% 1083 0.6 1147 2260389 56578452 55111849 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 256 129 218 328 1.000 16.97 37.8 96 99 99 99 445 182.3 2.525 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5591 1752.7 3.1 scans 73% TIC 1.0% 0.0412% 1090 2.0 169 96778 2.02% 1014675 1014675 49735737 0-0 0.997 17.63 -5.3 85 84 76 85 450 24.1 2.053 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4313 1817.1 4.2 scans 91% 50 m/z 0.031% 3.91% 1173 0.4 1240 3202436 96443328 94553623 1-0 20: 50 62 78 66 213 90 277 150 108 106 122 197 165 94 64 92 82 214 261 138 0.935 17.91 38.9 94 99 92 98 327 123.2 0.989 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1012 Phytol 18.5639 1827.2 2.9 scans 97% 68 m/z 0.088% 1.44% 1186 0.7 920 1132450 1.56% 35604596 35435443 38409777 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 39.1 94 98 99 99 278 53.1 0.334 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1016 Hexadecene 18.6292 1832.2 2.6 scans 88% 70 m/z 0.43% 0.159% 1192 1.1 317 230740 1.21% 3921972 3689079 29792199 0-1 20: 70 69 55 57 71 83 56 111 125 97 280 126 84 85 140 67 112 68 82 98 0.994 18.10 39.8 85 85 93 97 280 47.2 2.216 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6576 1834.4 2.8 scans 72% 285 m/z (70) 1.3% 0.0689% 1195 1.2 184 73170 1.34% 1698752 1346594 32993013 13-3 19: 285 117 73 75 132 129 286 145 131 118 287 116 300 74 241 201 130 61 76 0.990 18.73 -5.3 94 96 89 96 300 17.1 0.862 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1002 Phytol 18.8min 18.8627 1850.0 2.7 scans 93% 81 m/z 0.32% 0.417% 1214 1.0 502 309115 10284084 9987791 1-2 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 110 56 111 0.996 18.84 1.7 98 97 99 98 278 56.9 1.287 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1072 Fructose 18.9532 1856.9 2.7 scans 88% 73 m/z 0.33% 0.165% 1223 1.0 319 295627 4070871 3804116 9-1 20: 73 103 217 307 147 308 218 133 277 309 74 205 189 104 117 364 89 219 148 172 0.995 19.03 -6.1 95 94 95 94 364 29.7 0.866 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1070 Fructose 19.0711 1865.9 2.7 scans 78% 73 m/z (81) 0.43% 0.144% 1234 1.3 290 231113 3548683 3265226 1-5 20: 73 103 307 217 147 308 218 277 309 205 74 104 89 364 262 133 219 117 148 189 0.982 19.19 -9.4 90 91 90 92 554 12.8 0.196 -0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1058 1868.6 3.0 scans 91% 81 m/z 0.26% 0.527% 1237 0.8 541 371692 12997673 12867905 1-0 20: 81 95 68 57 123 55 69 83 79 67 71 96 97 109 124 278 53 111 56 110 0.999 18.58 40.2 93 96 98 99 278 72.2 1.785 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN BRA4_R~2-N1004 Galactose 19.2731 1881.3 2.7 scans 82% 73 m/z 0.61% 0.101% 1253 1.0 246 163433 0.213% 2496824 2455488 5244412 1-0 20: 73 319 205 160 147 320 217 103 321 206 117 229 74 133 148 207 189 218 157 89 0.980 19.36 -6.8 96 95 93 97 364 14.8 0.360 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1068 Galactopyranose 19.3499 1887.2 2.8 scans 55% 204 m/z 2.1% 0.0282% 1261 1.2 127 45614 695579 681160 0-2 10: 204 191 147 206 192 218 148 166 305 243 0.964 19.32 2.7 81 79 71 85 435 0.0 0.000 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4846 1897.5 3.0 scans 86% TIC 0.17% 0.178% 1273 1.6 301 567857 0.441% 4382803 4047855 10858148 3-0 0.974 19.49 -0.3 93 92 92 93 338 56.4 3.510 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9255 1932.8 2.9 scans 77% 204 m/z 0.38% 0.115% 1315 1.2 255 260334 0.149% 2837501 2616901 3668626 4-2 15: 204 205 217 159 147 206 129 218 103 191 189 305 148 219 203 0.979 19.91 1.1 97 95 94 98 361 11.2 0.192 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7967 2002.9 3.0 scans 94% TIC 0.31% 0.475% 1398 1.1 528 318052 0.518% 11696011 11637051 12754016 0-2 0.999 20.27 42.7 83 84 95 98 322 35.1 0.441 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1038 C16:0 21.1681 2034.1 3.7 scans 97% 313 m/z 0.028% 4.03% 1433 0.4 1333 3502760 99317238 96746573 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 201 69 315 74 269 285 1.000 20.62 45.8 94 99 99 100 328 153.3 1.323 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6700 2076.3 5.7 scans 81% TIC 0.65% 0.132% 1481 1.0 277 153650 0.431% 3258219 3258219 10611932 0-0 0.999 21.75 -6.6 96 96 94 96 507 17.1 0.382 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1908 2120.9 3.1 scans 34% 396 m/z 1.8% 0.0249% 1530 1.3 115 53939 0.0267% 614202 614202 657398 0-0 13: 396 219 397 381 220 398 307 382 249 383 399 308 233 0.939 22.19 0.4 90 90 58 90 396 61.7 28.722 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2908 2129.6 3.0 scans 49% 327 m/z (204) 2.2% 0.0481% 1540 0.9 159 44796 0.0601% 1186745 1186745 1479761 0-0 10: 327 117 132 328 145 342 329 201 187 299 0.981 22.33 -3.4 94 96 93 96 342 17.3 1.177 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1040 Phytol 22.6296 2159.2 3.3 scans 91% TIC 0.077% 0.452% 1572 1.0 490 1297820 0.632% 11132193 10680536 15560884 0-3 0.997 22.08 47.7 80 83 90 96 181 7.5 0.024 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1042 C18:2 23.0726 2197.9 >6 scans 59% 75 m/z (342) 0.28% 1.12% 1614 1.1 562 355359 6.48% 27589991 26569700 159548303 4-0 20: 75 81 262 55 220 96 68 110 150 69 138 234 263 339 97 121 65 61 77 78 0.982 22.53 47.1 85 94 91 96 352 37.2 0.439 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1915 2208.6 5.2 scans 94% 79 m/z 0.036% 8.39% 1626 0.2 1648 2718320 9.27% 206607423 202561273 228242712 0-2 20: 79 75 73 95 93 67 108 80 81 91 107 94 129 55 121 335 149 77 135 117 0.994 23.12 6.8 98 97 98 97 350 115.5 0.492 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1036 C18:0 23.4198 2229.5 2.8 scans 90% 341 m/z 0.10% 0.929% 1647 0.8 740 986640 22881404 20995634 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 0.999 22.89 47.7 93 99 98 100 356 95.6 1.668 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN N479_R~1-N1006 17-Methyltestosterone 23.8733 2271.0 4.1 scans 44% TIC 1.2% 0.0300% 1690 1.0 191 82811 0.343% 738786 738786 8445227 0-0 0.929 23.88 -0.3 93 93 83 93 450 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1574 2296.9 3.4 scans 27% 204 m/z 0.89% 0.0404% 1718 1.0 141 111146 0.0488% 995298 909671 1201537 0-11 14: 204 217 205 337 147 103 206 218 219 338 191 339 291 231 0.646 24.18 -2.2 86 88 67 89 581 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1574 2296.9 3.4 scans 26% 204 m/z (73) 0.87% 0.0422% 1718 1.0 137 114786 0.0511% 1040269 950774 1258166 0-11 14: 204 217 205 337 147 103 206 218 219 338 191 339 291 231 0.970 24.01 13.4 84 86 69 87 490 0.0 0.000 0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1018 myo-Inositol 25.2285 2398.6 3.2 scans 77% TIC 0.50% 0.212% 1819 1.4 327 196923 0.375% 5232598 4769391 9233119 3-6 0.972 25.21 1.8 98 97 96 100 470 22.8 0.488 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1022 Steroid 25.47min 2422 25.4884 2424.3 3.0 scans 19% 182 m/z (369) 4.4% 0.0245% 1844 0.9 111 22484 604034 539118 3-4 13: 182 143 169 195 196 374 265 183 170 375 184 167 137 0.798 25.47 2.1 82 88 58 88 374 18.8 2.877 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6368 2439.0 3.2 scans 52% 91 m/z 0.69% 0.0487% 1858 1.4 157 143356 0.0667% 1200448 1143888 1642264 3-2 17: 91 117 194 207 92 208 65 115 193 312 51 104 178 118 195 179 116 0.970 25.61 2.7 96 97 96 96 312 19.3 1.508 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3133 2506.2 3.0 scans 41% 204 m/z 0.83% 0.0324% 1922 1.1 161 120090 0.0565% 799664 788158 1391123 1-1 11: 204 217 205 219 147 206 218 232 305 203 220 0.929 25.86 45.5 85 91 87 96 361 4.1 0.000 0.457 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4133 2516.6 3.0 scans 94% 204 m/z 0.027% 1.68% 1932 0.7 974 3660067 41497002 40778083 1-1 20: 204 73 205 147 217 495 206 117 363 496 273 130 129 103 191 74 143 231 131 75 0.995 26.35 6.6 96 95 97 95 495 148.5 2.335 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5722 2533.0 2.8 scans 43% 512 m/z (218) 1.2% 0.0641% 1947 1.0 195 80382 1578306 1491869 1-1 17: 512 455 247 513 456 514 483 263 248 349 457 423 497 484 249 235 409 0.973 26.57 -0.1 94 96 88 96 512 63.8 10.720 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9478 2571.8 2.8 scans 93% 371 m/z 0.039% 1.44% 1983 0.7 929 2500471 35537893 35237837 1-0 20: 371 372 73 147 57 129 205 203 239 373 459 55 71 103 116 75 145 101 85 117 1.000 26.39 57.2 90 97 97 100 459 117.1 1.590 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1008 Sucrose 27.4318 2622.5 2.9 scans 59% 361 m/z 0.30% 0.227% 2029 1.0 354 332663 5613336 5035939 0-20 14: 361 217 362 437 363 271 451 438 218 169 243 439 364 452 0.969 27.59 -17.0 98 97 94 98 437 63.5 3.217 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN LQC1-N1010 Sucrose 27.4329 2622.6 3.5 scans 61% TIC 0.29% 0.176% 2029 1.2 360 336643 0.610% 4347172 4323493 15019208 2-0 0.928 27.58 -15.6 99 98 95 99 437 63.3 3.089 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7439 2765.9 3.0 scans 92% 399 m/z 0.072% 0.906% 2153 0.9 711 1384631 22309919 21801602 1-1 20: 399 400 73 147 57 129 205 203 103 55 401 487 71 116 145 75 85 101 267 117 1.000 28.19 62.0 89 98 98 100 487 90.3 1.614 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN SQUALENE-N1017 Squalene STD 29.0985 2805.8 >3 scans 38% TIC 1.3% 0.0131% 2187 1.3 135 73168 0.159% 323716 323716 3914843 0-0 0.969 29.09 0.7 81 82 90 81 410 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1032 Sterol 29.17min 2814 29.1900 2816.1 3.6 scans 52% 99 m/z 0.38% 0.102% 2196 1.5 211 258238 2526108 2180262 6-5 16: 99 71 100 269 283 356 256 355 196 98 257 255 357 241 168 140 0.954 29.17 2.4 95 95 91 95 355 20.1 0.905 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1034 Nonacosane 29.5236 2853.6 3.4 scans 33% 57 m/z (204) 2.0% 0.0412% 2227 1.3 136 49043 0.0506% 1015299 950684 1245856 2-0 13: 57 71 85 99 365 56 70 113 366 393 127 364 86 0.946 29.50 2.1 83 84 93 91 408 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8477 2890.1 3.1 scans 63% 57 m/z 0.55% 0.104% 2258 1.3 245 180518 2572456 2362051 1-6 18: 57 71 85 55 99 83 56 97 70 113 127 84 98 58 141 140 86 112 0.989 29.83 2.4 98 97 99 98 408 15.4 0.397 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4380 2959.6 3.0 scans 53% 193 m/z (204) 0.80% 0.157% 2314 1.2 276 124053 3865996 3458607 2-2 14: 193 119 105 163 120 194 176 247 515 171 325 158 164 248 0.976 30.36 9.5 85 87 88 88 529 11.7 0.180 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4811 2964.7 3.3 scans 59% 57 m/z 0.43% 0.154% 2318 0.9 282 231337 0.165% 3793149 3337438 4062573 2-2 20: 57 71 85 56 393 55 83 69 99 97 70 392 394 113 127 111 84 141 58 365 0.989 30.46 2.1 96 95 97 99 393 64.7 5.263 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2271 3053.3 3.3 scans 72% 57 m/z 0.22% 0.310% 2389 1.0 402 443866 0.375% 7653871 6879370 9233119 2-2 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 84 141 421 394 98 155 0.986 31.21 1.8 98 97 99 99 393 58.7 2.135 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1048 Hentriacontane 31.5428 3090.8 3.3 scans 86% 57 m/z 0.059% 1.25% 2419 0.7 792 1689630 30848055 30003782 1-3 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 126 1.000 31.53 1.3 99 98 100 98 436 46.0 0.338 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7006 3109.6 7.6 scans 19% 204 m/z (296) 1.5% 0.0435% 2434 0.9 123 64905 0.328% 1071067 1006086 8075902 0-1 15: 204 205 597 73 337 103 206 217 191 218 129 338 598 361 219 0.909 31.68 3.0 80 83 81 83 597 15.4 1.567 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8311 3125.1 3.0 scans 67% 502 m/z 0.23% 0.231% 2447 1.0 356 417998 5690994 5487531 1-1 14: 502 237 503 236 504 238 277 467 221 223 208 239 505 224 0.981 31.79 4.7 98 97 95 99 502 171.6 23.274 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9605 3140.4 3.3 scans 71% 329 m/z 0.68% 0.336% 2459 1.1 416 146793 8296493 7800846 1-1 15: 329 129 368 458 353 552 95 330 328 107 119 369 105 121 145 0.990 31.87 11.0 92 89 92 98 458 57.0 1.885 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1288 3160.4 3.1 scans 66% 57 m/z 0.14% 0.418% 2475 1.0 488 667834 0.492% 10316418 10093811 12113853 2-0 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 127 111 84 141 58 155 0.993 32.11 2.2 98 96 99 99 421 109.7 5.055 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3330 3184.7 3.4 scans 33% 57 m/z 0.25% 0.319% 2495 1.0 373 386135 7865063 5975255 9-25 16: 57 71 85 99 83 97 56 113 70 127 84 141 98 112 140 58 0.982 32.33 0.8 82 83 96 84 785 3.7 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1004 Campesterol 32.7991 3240.0 3.5 scans 50% 343 m/z 0.48% 0.414% 2539 0.8 444 206708 0.447% 10205283 9693182 11005878 0-1 14: 343 129 382 472 367 107 344 121 119 145 342 105 383 159 0.919 32.21 69.9 83 95 83 97 472 69.0 2.421 0.589 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1046 Stigmasterol 33.0011 3264.0 3.7 scans 72% 83 m/z (309 204) 0.16% 1.48% 2558 0.6 802 624783 1.52% 36461390 34057115 37424911 0-1 17: 83 129 55 255 394 484 159 145 355 351 105 133 119 97 139 485 379 0.991 32.98 2.2 93 97 99 97 665 8.3 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1253 3278.8 3.1 scans 84% 57 m/z 0.066% 1.10% 2570 0.6 764 1513523 27259997 26417440 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.994 33.10 3.4 89 86 97 93 515 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN WTF2-N1034 b-Sitosterol 33.4998 3323.3 3.8 scans 73% 129 m/z 0.28% 0.818% 2605 0.7 617 355929 1.11% 20162278 18807790 27330033 7-4 19: 129 357 396 486 381 95 57 75 107 121 358 119 81 145 356 105 397 55 159 0.995 32.88 74.0 85 98 98 99 486 88.7 2.066 0.623 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6124 3336.6 3.2 scans 58% 386 m/z 0.81% 0.312% 2616 1.1 410 122933 7705460 7273885 1-2 7: 386 296 281 387 119 257 371 0.981 33.58 3.3 93 92 94 98 505 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7692 3355.3 3.9 scans 55% 218 m/z (204) 0.17% 0.457% 2631 0.8 435 579529 11276123 10625379 1-3 18: 218 203 219 190 189 95 81 135 107 119 109 121 175 105 93 94 136 137 0.986 34.08 -37.1 86 91 92 95 498 28.2 0.421 -0.313 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9081 3371.7 3.3 scans 12% 441 m/z 1.5% 0.0247% 2644 0.9 111 62849 609503 609503 0-1 6: 441 442 308 646 647 443 0.877 33.80 13.3 94 95 82 95 646 19.1 2.953 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2364 3410.7 3.7 scans 32% 99 m/z 0.77% 0.106% 2675 1.0 221 128642 2625654 2479579 3-0 7: 99 499 169 500 100 383 285 0.937 34.22 2.0 96 97 90 97 499 57.7 6.820 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5994 3453.8 3.9 scans 31% 596 m/z 0.63% 0.100% 2710 1.0 209 157816 2470962 2464374 0-2 19: 596 597 598 331 316 302 315 599 318 356 303 317 332 330 357 342 301 287 288 0.930 34.47 15.1 97 96 89 99 596 105.5 25.452 0.127 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN EXBLK5S-N1006 Contamination 6.3615 1047.7 2.0 scans 72% 207 m/z 0.58% 0.0284% 26 1.2 183 169801 948628 948628 0-0 18: 207 73 295 208 209 296 191 297 279 74 193 189 210 192 177 247 298 205 0.975 6.63 -15.6 98 98 95 98 295 58.5 10.218 -0.264 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9124 1139.6 >4 scans 31% 147 m/z 5.1% 0.00308% 174 1.4 60 19507 0.121% 102831 102831 4031108 0-0 6: 147 73 131 148 66 149 0.929 7.79 7.0 89 90 79 89 219 6.3 1.134 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1192 Contamination 8.0713 1149.0 2.7 scans 95% 73 m/z 0.14% 0.350% 189 0.6 471 685368 11675743 10615531 21-0 19: 73 147 133 220 235 148 59 146 72 86 89 74 160 100 103 149 131 134 236 0.999 7.99 4.8 97 96 97 97 235 96.1 4.159 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1188 Contamination 8.3070 1163.0 2.5 scans 78% TIC 1.4% 0.0249% 211 2.1 141 67231 0.0343% 830465 699658 1142702 0-11 0.943 8.41 -6.4 98 97 79 99 369 40.4 8.238 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1186 Phosphate 8.5848 1179.5 2.4 scans 94% 241 m/z 0.15% 0.130% 238 1.1 333 644622 4352623 4096331 1-1 20: 241 242 133 211 163 73 256 243 195 135 98 59 89 119 137 212 257 181 164 134 1.000 8.56 1.5 100 100 99 100 299 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN VEN77_S6-N1002 Glycerol 10.0905 1267.8 5.9 scans 96% 299 m/z 0.011% 4.70% 381 0.4 1356 8481858 156862748 156691188 2-0 20: 299 300 73 314 301 133 283 207 315 211 147 193 191 135 74 205 225 75 284 131 1.000 10.09 -0.2 98 97 94 99 299 755.4 31.222 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1174 Proline 10.4409 1288.3 5.3 scans 32% 142 m/z (180) 5.2% 0.00519% 414 1.2 44 19081 0.00537% 172910 172910 178901 0-0 1: 142 0.915 10.55 -6.1 82 89 76 88 142 35.8 66.610 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7049 1303.9 3.2 scans 68% 199 m/z 1.5% 0.0494% 439 0.5 169 65555 1646043 1471748 3-1 16: 199 75 117 145 132 200 129 131 118 76 81 61 201 155 72 95 0.809 10.73 -1.7 96 94 93 99 209 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0385 1324.0 2.9 scans 83% 184 m/z 1.4% 0.0347% 471 0.8 157 70358 0.0354% 1156822 1115224 1179349 3-0 20: 184 134 285 73 174 77 86 100 59 185 227 286 172 178 135 130 186 110 143 175 0.977 11.06 -1.5 98 97 94 98 285 47.3 9.073 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3994 1345.7 6.4 scans 90% TIC 0.72% 0.0883% 505 0.5 183 137038 0.152% 2943942 2902989 5063871 1-0 0.999 11.45 -2.8 99 98 97 99 145 52.8 8.352 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN TAB_REP6-N1026 Malic acid 13.4680 1473.5 2.6 scans 76% 73 m/z 1.6% 0.0242% 702 0.8 138 60457 807326 770496 2-1 19: 73 147 233 245 189 133 148 190 175 335 191 74 149 101 55 171 59 72 307 0.923 13.53 -4.1 87 86 82 88 335 15.9 1.329 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9647 1505.0 2.8 scans 46% 156 m/z 1.7% 0.0122% 749 1.0 97 58589 408136 407443 1-0 7: 156 157 258 230 158 232 59 0.705 14.11 -9.7 92 90 86 95 273 0.0 0.000 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1044 Dodecanol 14.7254 1555.5 2.7 scans 76% 243 m/z 1.0% 0.0258% 821 1.0 146 97484 860995 798950 1-1 15: 243 75 244 103 89 97 83 245 101 61 111 76 115 59 67 0.983 14.24 32.1 94 96 93 97 243 81.0 30.816 0.483 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1880 1654.9 2.8 scans 51% 290 m/z (195) 1.1% 0.0192% 960 1.9 113 90515 641179 626169 0-3 6: 290 291 292 158 392 144 0.988 16.28 -6.2 96 97 90 97 392 17.1 2.302 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5404 1679.4 2.8 scans 83% 55 m/z 0.89% 0.0679% 994 1.2 198 111921 0.0822% 2262867 1684537 2738488 8-7 17: 55 83 69 70 56 97 84 111 82 98 127 113 68 140 54 96 67 0.986 16.63 -6.0 95 94 94 95 210 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1010 Glycerol-P 17.4790 1746.9 2.7 scans 95% 357 m/z 0.035% 2.05% 1083 0.6 1256 2843928 68426046 62657212 1-1 20: 357 299 73 147 358 315 300 370 445 211 103 101 359 133 301 129 256 387 218 131 1.000 16.97 37.4 96 99 99 99 445 200.2 2.540 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5516 1752.2 3.5 scans 64% TIC 0.97% 0.0446% 1090 2.2 161 102135 1.49% 1488215 1119556 49639260 0-4 0.952 17.63 -5.8 87 86 80 87 450 22.6 1.959 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN TAB_REP6-N1048 Citric acid 18.2387 1802.4 2.6 scans 21% 273 m/z 5.5% 0.00423% 1155 0.9 60 18083 0.00432% 141059 141059 143921 0-0 10: 273 363 274 347 375 465 211 275 364 221 0.776 18.24 -0.4 81 83 43 84 465 12.6 4.346 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4291 1816.9 4.4 scans 96% 73 m/z 0.028% 3.47% 1173 0.5 1315 3494395 115788583 114279006 1-0 20: 73 76 135 120 119 132 149 50 136 62 74 78 66 118 133 58 213 90 121 77 0.993 17.91 38.7 95 99 98 99 327 126.2 0.922 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1012 Phytol 18.5659 1827.4 3.3 scans 97% 68 m/z 0.059% 1.85% 1186 0.6 1103 1683567 2.01% 61774480 60920508 66963028 1-0 20: 68 95 82 69 57 123 55 81 83 67 97 71 96 109 124 111 79 56 85 53 1.000 18.04 39.3 94 98 99 99 278 65.9 0.357 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1016 Hexadecene 18.6259 1832.0 3.1 scans 86% TIC 0.26% 0.253% 1192 1.6 407 376870 5.15% 8442884 8189447 171571938 0-2 0.994 18.10 39.6 84 84 93 97 280 60.0 2.173 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6512 1833.9 2.6 scans 57% 285 m/z (70) 0.87% 0.0556% 1194 1.1 213 114657 1853412 1769127 2-1 17: 285 117 75 132 129 286 145 131 118 287 300 116 201 130 241 76 257 0.943 18.73 -5.8 95 96 84 97 300 21.2 0.997 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1002 Phytol 18.8min 18.8574 1849.6 2.7 scans 95% 81 m/z 0.22% 0.425% 1214 0.9 577 437091 14170325 13862508 0-10 20: 81 82 95 68 123 57 55 69 83 67 79 71 96 124 97 109 278 111 110 53 0.995 18.84 1.3 98 97 99 99 278 67.8 1.380 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1018 Fructose 18.9426 1856.1 3.3 scans 68% TIC 1.1% 0.0360% 1222 1.0 160 84952 0.367% 1201610 922237 12226583 0-3 0.986 18.52 31.8 92 94 95 95 364 15.6 0.957 0.418 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9437 1856.2 2.8 scans 63% 73 m/z 1.3% 0.0287% 1222 0.8 154 76802 0.0420% 957338 921260 1399227 0-1 20: 73 103 307 217 147 308 218 277 104 309 189 205 133 364 89 74 117 172 148 219 0.993 18.40 41.2 92 97 95 97 364 15.4 1.003 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1015 1868.2 3.1 scans 94% TIC 0.15% 0.672% 1237 0.6 689 642266 22412255 21571982 1-1 0.986 18.58 39.8 92 94 98 99 278 95.2 1.912 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN BRA4_R~2-N1004 Galactose 19.2635 1880.6 2.7 scans 51% 319 m/z 2.6% 0.0164% 1252 0.9 114 38339 547287 530747 0-1 11: 319 205 160 320 321 206 229 189 157 89 207 0.990 19.36 -7.5 91 91 85 92 364 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4771 1896.9 2.8 scans 88% 174 m/z 0.11% 0.178% 1273 1.0 360 855819 0.190% 5940791 5607471 6329838 1-4 20: 174 73 175 338 86 176 100 59 339 161 179 74 130 340 250 264 172 87 131 149 0.982 19.49 -0.9 94 93 94 95 338 69.1 3.676 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9169 1932.1 3.2 scans 85% TIC 0.28% 0.160% 1314 1.2 295 346090 0.466% 5349946 4646955 15524762 1-2 0.980 19.91 0.4 96 94 94 99 361 13.3 0.205 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7892 2002.3 3.2 scans 92% TIC 0.31% 0.383% 1397 1.1 520 319058 0.466% 12780932 12724704 15524762 0-1 0.998 20.27 42.1 83 84 94 98 322 34.4 0.436 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1038 C16:0 21.1638 2033.8 3.8 scans 98% 117 m/z 0.023% 3.72% 1433 0.4 1449 4170903 124067955 123829867 1-0 20: 117 73 75 132 129 145 314 55 131 133 118 57 69 74 315 201 269 116 83 285 1.000 20.62 45.5 94 99 99 100 328 165.3 1.302 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6636 2075.8 2.9 scans 79% 305 m/z 0.38% 0.208% 1480 1.0 386 260765 6930834 6729374 2-1 19: 305 217 147 318 191 306 319 265 204 218 307 320 133 432 129 148 219 192 433 0.996 21.75 -7.1 98 97 96 98 507 25.3 0.430 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1918 2120.9 4.8 scans 68% TIC 0.36% 0.183% 1531 1.3 309 276771 0.290% 6098741 5861278 9661332 1-0 0.939 22.19 0.4 96 96 90 96 396 128.6 17.336 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2844 2129.0 3.0 scans 50% 327 m/z 1.6% 0.0438% 1540 0.9 171 62204 1459250 1325052 7-1 8: 327 132 328 342 329 283 343 54 0.915 22.33 -4.0 97 96 91 97 342 20.6 1.461 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1945 2208.9 7.1 scans 92% 79 m/z 0.037% 7.93% 1626 0.2 1595 2641775 8.66% 264287517 253201049 288507375 0-6 20: 79 75 73 95 67 93 108 81 80 91 107 129 55 94 121 149 117 135 77 122 0.997 23.12 7.1 96 95 98 95 350 118.7 0.553 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1036 C18:0 23.4155 2229.1 2.7 scans 93% 341 m/z 0.067% 0.926% 1647 0.8 875 1488787 30881357 30039230 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 69 118 343 201 74 297 116 1.000 22.89 47.3 93 98 98 99 356 114.5 1.711 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1489 2296.1 3.3 scans 32% 204 m/z (333 355) 0.71% 0.0436% 1717 0.9 165 139114 0.0467% 1453699 1406538 1555808 0-6 16: 204 217 205 337 147 103 338 219 218 191 361 339 243 203 319 362 0.952 24.01 12.6 86 90 85 91 490 0.0 0.000 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1489 2296.1 3.3 scans 28% 204 m/z 0.72% 0.0343% 1717 0.9 155 137218 0.0368% 1143946 1106834 1225990 0-6 16: 204 217 205 337 147 103 338 219 218 191 361 339 243 203 319 362 0.646 24.18 -3.0 88 90 69 90 581 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1018 myo-Inositol 25.2169 2397.5 3.0 scans 80% TIC 0.38% 0.188% 1818 1.3 368 258294 0.265% 6284571 5885833 8828459 2-1 0.981 25.21 0.7 97 95 95 100 470 26.1 0.503 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6304 2438.4 3.4 scans 49% 91 m/z 0.62% 0.0444% 1857 1.3 161 158912 0.0583% 1481897 1349248 1942261 4-5 13: 91 117 194 207 92 208 115 193 65 312 104 51 102 0.978 25.61 2.1 97 97 95 97 312 20.1 1.547 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3080 2505.7 3.6 scans 47% TIC 0.55% 0.0266% 1922 1.0 200 181148 0.101% 888235 888235 3364809 0-0 0.966 25.86 45.0 85 88 90 97 361 4.4 0.000 0.452 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4227 2517.5 3.5 scans 96% 204 m/z 0.011% 4.02% 1933 0.5 1566 8742518 133967285 132095984 1-0 20: 204 73 205 147 217 206 495 117 363 129 273 191 103 130 74 496 75 143 218 131 0.999 26.35 7.5 97 96 98 96 495 241.5 2.398 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5637 2532.1 2.8 scans 31% 512 m/z 1.3% 0.0401% 1946 1.0 177 72784 1337510 1283651 1-1 18: 512 455 247 513 456 483 514 349 248 263 457 497 484 423 235 234 409 264 0.912 26.57 -1.0 94 94 80 94 512 64.1 13.193 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9404 2571.0 2.8 scans 91% 371 m/z 0.034% 1.16% 1982 0.7 965 2878314 38880161 37743467 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 75 145 101 85 117 0.996 26.39 56.4 90 97 97 99 459 123.1 1.634 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN LQC1-N1010 Sucrose 27.4223 2621.5 2.7 scans 60% 361 m/z 0.26% 0.160% 2028 0.9 361 377673 5354308 5267468 0-1 12: 361 362 437 363 271 451 438 169 243 439 452 364 0.972 27.58 -16.7 99 98 95 98 437 66.6 3.401 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7386 2765.3 2.7 scans 92% 399 m/z 0.057% 0.753% 2153 0.7 770 1736683 25105760 24464802 1-1 20: 399 400 73 147 129 57 205 203 103 487 55 401 71 116 145 75 117 101 267 85 1.000 28.19 61.4 89 97 97 100 487 98.6 1.640 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN SQUALENE-N1017 Squalene STD 29.0879 2804.6 6.9 scans 44% TIC 0.82% 0.0157% 2186 1.4 169 121153 0.167% 525125 525125 5563595 0-0 0.977 29.09 -0.5 85 85 92 85 410 7.1 0.175 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1032 Sterol 29.17min 2814 29.1763 2814.5 3.8 scans 36% 99 m/z (204) 0.67% 0.0486% 2194 1.6 158 147062 0.0502% 1622084 1417917 1672410 6-1 10: 99 71 100 269 283 357 241 255 284 168 0.946 29.17 0.8 89 92 93 93 355 14.2 0.801 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8392 2889.1 3.3 scans 65% 57 m/z 0.40% 0.120% 2257 1.2 285 248380 4002696 3699434 1-8 20: 57 71 85 55 99 69 83 97 56 70 113 84 127 111 98 141 86 112 58 126 0.986 29.83 1.4 98 97 99 100 408 18.1 0.406 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4736 2963.9 3.5 scans 51% 57 m/z 0.53% 0.0974% 2318 0.8 249 187628 0.103% 3247578 3060532 3431439 0-1 14: 57 71 85 56 393 99 392 70 394 113 127 84 365 58 0.968 30.46 1.3 94 93 96 98 393 57.7 5.376 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2207 3052.6 3.5 scans 70% 57 m/z 0.22% 0.241% 2389 1.1 397 441866 0.317% 8055712 7562438 10560836 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 98 392 155 0.989 31.21 1.1 99 98 99 99 393 59.8 2.272 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1048 Hentriacontane 31.5553 3092.3 3.7 scans 90% 57 m/z 0.035% 1.85% 2421 0.4 1027 2788706 61718181 61638180 0-2 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 155 98 112 169 125 0.999 31.53 2.8 100 99 99 99 436 62.5 0.370 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6942 3108.8 6.8 scans 19% 204 m/z 1.2% 0.0152% 2434 1.1 131 77597 0.103% 509406 476391 3431439 0-1 16: 204 597 217 103 337 205 73 191 206 361 598 129 147 338 219 243 0.842 31.68 2.2 87 88 81 89 597 17.4 1.750 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8352 3125.6 3.0 scans 85% 502 m/z 0.061% 0.635% 2447 0.7 683 1632674 21186299 20381915 1-1 18: 502 237 503 73 236 238 504 57 277 221 223 208 71 239 55 74 505 193 0.996 31.79 5.2 100 99 99 100 502 331.4 23.592 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9593 3140.3 3.5 scans 80% TIC 0.32% 0.462% 2459 1.1 575 311035 0.992% 15415640 14785954 33048420 3-0 0.998 31.87 10.9 95 92 95 99 458 82.9 2.075 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1298 3160.5 3.5 scans 70% 57 m/z 0.10% 0.516% 2475 0.8 582 957990 0.591% 17222625 16738504 19689129 3-0 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 111 127 141 84 58 155 0.994 32.11 2.3 97 96 99 99 421 136.1 5.471 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3329 3184.7 3.2 scans 49% 57 m/z 0.12% 0.441% 2494 0.8 534 796502 14715232 13348545 1-24 19: 57 71 85 99 83 69 97 56 113 70 127 84 111 141 98 58 155 112 86 0.977 32.33 0.8 84 87 96 89 785 6.6 0.015 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1004 Campesterol 32.7979 3239.9 3.9 scans 52% 343 m/z 0.35% 0.459% 2539 0.8 515 284539 15305904 14588832 1-1 17: 343 129 382 472 367 95 344 107 121 145 119 342 383 105 159 93 473 0.901 32.21 69.8 84 96 84 98 472 80.7 2.460 0.588 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1046 Stigmasterol 33.0084 3264.9 4.2 scans 77% 83 m/z (204) 0.099% 1.83% 2559 0.4 974 1007729 1.90% 61204499 61204499 63298385 0-0 16: 83 129 255 55 394 484 159 145 351 355 97 139 485 91 213 379 0.987 32.98 3.1 91 92 94 95 665 22.5 0.053 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1357 3280.0 3.3 scans 88% 57 m/z 0.038% 1.58% 2571 0.5 1002 2617567 52840641 50997476 1-1 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 84 141 155 98 112 169 126 0.998 33.10 4.6 89 87 97 92 515 0.0 0.000 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3524 3305.8 3.3 scans 28% 99 m/z 1.3% 0.113% 2591 1.0 267 75559 0.203% 3784090 3256271 6762933 6-5 9: 99 189 437 529 199 438 530 287 439 0.865 33.38 -3.1 84 82 79 91 529 34.7 1.688 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN WTF2-N1034 b-Sitosterol 33.5050 3323.9 4.0 scans 80% TIC 0.15% 1.04% 2606 0.6 815 638519 2.43% 34735824 32784345 80955303 0-2 0.989 32.88 74.6 85 98 98 99 486 120.8 2.195 0.628 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6102 3336.4 4.8 scans 37% TIC 2.2% 0.0559% 2616 1.3 277 44776 0.400% 1864139 1864139 13325976 0-0 0.925 33.58 3.1 84 83 87 93 505 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7660 3354.9 4.1 scans 51% 218 m/z (204) 0.17% 0.349% 2631 0.9 416 566696 11637157 10604131 2-3 16: 218 203 190 189 95 107 135 121 119 175 93 105 94 136 123 279 0.980 34.08 -37.5 86 91 91 95 498 28.2 0.458 -0.316 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9017 3371.0 3.6 scans 4.6% 441 m/z 2.8% 0.00876% 2644 1.0 72 35695 291890 291890 1-0 6: 441 442 308 646 443 647 0.773 33.80 12.6 91 93 62 94 646 14.3 3.980 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2268 3409.6 3.7 scans 45% 99 m/z 0.40% 0.158% 2674 1.0 309 244219 5269478 4817967 2-1 13: 99 499 71 169 361 500 362 509 100 383 257 230 451 0.973 34.22 0.9 96 95 93 97 499 77.7 6.347 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5940 3453.2 3.8 scans 39% 596 m/z 0.32% 0.143% 2709 0.9 286 309360 4777889 4563190 5-6 17: 596 597 598 331 316 599 302 315 356 318 303 332 317 300 330 342 600 0.960 34.47 14.5 97 96 88 99 596 144.3 25.475 0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 2.8 scans 71% 207 m/z 0.79% 0.0358% 27 2.2 162 125678 1236393 1227804 0-5 13: 207 295 208 209 296 191 297 279 193 189 210 192 298 0.989 6.63 -15.1 96 95 86 96 295 50.0 9.520 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1192 Contamination 7.9525 1142.0 2.7 scans 96% TIC 0.10% 0.402% 177 0.8 554 950751 13889950 13228815 1-2 0.998 7.99 -2.2 98 97 97 98 235 112.8 4.137 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1188 Contamination 8.3165 1163.6 4.0 scans 26% 281 m/z (73) 4.5% 0.00907% 212 2.0 68 22082 312639 295155 1-1 8: 281 369 282 370 283 371 249 149 0.943 8.41 -5.8 91 94 84 95 369 24.5 12.854 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1186 Phosphate 8.4880 1173.7 2.3 scans 96% 241 m/z 0.059% 0.315% 228 1.1 541 1686773 10890488 10226999 1-1 20: 241 242 133 211 73 163 256 243 135 195 98 59 89 147 119 137 134 257 164 121 1.000 8.56 -4.3 100 99 99 100 299 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN VEN77_S6-N1002 Glycerol 10.0369 1264.7 5.6 scans 98% TIC 0.011% 4.54% 375 0.3 1363 8628814 156748788 155411629 0-1 1.000 10.09 -3.3 98 97 93 99 299 754.0 30.774 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN TAB_REP6-N1012 Proline 10.4283 1287.6 3.9 scans 80% TIC 0.60% 0.0333% 413 0.7 143 166220 0.0358% 1148670 1148670 1233908 0-0 0.966 10.53 -6.2 97 96 93 97 216 24.2 2.859 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1174 Proline 10.4293 1287.7 3.4 scans 82% 142 m/z 0.57% 0.0325% 413 0.8 145 175354 0.0338% 1122219 1060318 1164974 1-1 13: 142 73 143 216 144 66 72 74 59 100 217 148 244 0.977 10.55 -6.7 96 96 95 96 142 107.5 54.846 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6545 1300.9 3.0 scans 73% 199 m/z (69) 1.1% 0.0502% 434 1.0 183 83579 0.0570% 1731694 1592673 1964601 8-3 18: 199 75 117 73 145 132 129 200 131 74 76 118 61 201 81 155 72 96 0.996 10.73 -4.7 96 97 96 99 209 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9923 1321.2 2.8 scans 53% 184 m/z 6.7% 0.00519% 466 0.8 64 14808 179137 179137 1-0 10: 184 134 285 174 59 100 86 286 185 172 0.988 11.06 -4.3 88 88 77 90 285 20.4 10.241 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3658 1343.7 3.8 scans 91% TIC 0.46% 0.0885% 502 0.9 227 217109 0.115% 3051141 2809165 3963670 2-0 0.997 11.45 -4.8 98 97 97 99 145 64.4 8.065 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN TAB_REP6-N1026 Malic acid 13.4502 1472.4 2.5 scans 82% 73 m/z 1.2% 0.0264% 700 0.8 153 81636 912404 872869 2-1 19: 73 147 233 245 133 190 189 148 175 234 335 191 74 101 149 55 306 246 171 0.958 13.53 -5.2 90 90 86 91 335 17.7 1.343 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5582 1544.4 2.5 scans 79% 73 m/z (71) 1.3% 0.0293% 805 1.0 152 73137 0.0306% 1009985 942022 1054681 1-1 20: 73 292 147 220 205 217 293 117 103 148 294 133 221 319 206 149 74 222 102 177 0.988 14.62 -4.2 89 89 89 92 409 8.9 0.343 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5582 1544.4 2.5 scans 75% 73 m/z 1.3% 0.0267% 805 1.0 148 73305 0.0279% 920995 859020 961621 1-1 20: 73 292 147 220 205 217 293 117 103 148 294 133 221 319 206 149 74 222 102 177 0.978 14.69 -8.8 91 90 89 91 409 8.8 0.352 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1044 Dodecanol 14.7139 1554.7 2.7 scans 92% TIC 0.41% 0.0673% 820 0.8 229 242381 2320749 2144397 3-1 0.999 14.24 31.3 97 99 98 99 243 126.4 30.338 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1785 1654.3 2.8 scans 81% 290 m/z 0.32% 0.0718% 959 2.0 220 309194 2477177 2475467 0-1 14: 290 291 292 158 392 144 131 115 393 172 293 200 100 130 0.942 16.28 -6.8 96 95 90 99 392 33.0 2.251 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 2.7 scans 94% TIC 0.25% 0.177% 993 1.0 374 389644 0.223% 6122631 5698242 7686072 3-2 0.998 16.63 -6.5 99 98 99 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1096 Putrescine 17.1381 1722.0 2.7 scans 70% 174 m/z 1.2% 0.0170% 1050 1.0 116 80667 588474 588474 0-0 18: 174 175 121 176 214 86 200 172 265 149 130 100 361 146 215 191 122 142 0.982 17.25 -8.0 84 79 67 94 458 0.0 0.000 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1010 Glycerol-P 17.4706 1746.3 2.8 scans 97% 357 m/z 0.032% 2.11% 1082 0.7 1288 3076792 73035331 72861981 1-0 20: 357 299 73 147 358 315 300 445 370 211 359 103 101 301 129 133 256 387 218 328 1.000 16.97 36.8 96 99 98 99 445 205.0 2.533 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5422 1751.5 2.6 scans 64% 217 m/z 1.1% 0.0225% 1089 1.1 139 88436 0.254% 778292 765482 8754540 0-1 11: 217 218 147 219 450 232 305 191 451 148 257 0.980 17.63 -6.5 87 86 82 87 450 21.1 2.302 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4187 1816.1 4.3 scans 95% TIC 0.028% 3.34% 1172 0.5 1295 3462715 115228455 107576033 1-3 0.994 17.91 37.9 96 99 98 99 327 124.0 0.917 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1012 Phytol 18.5544 1826.5 3.1 scans 97% 68 m/z 0.064% 1.54% 1185 0.6 1046 1545728 1.81% 53422979 52852525 62384713 2-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 38.4 94 98 99 99 278 62.3 0.355 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1016 Hexadecene 18.6175 1831.3 2.9 scans 89% TIC 0.25% 0.232% 1191 1.4 409 391437 4.85% 8030477 7668581 167163458 0-2 0.996 18.10 38.9 85 85 93 97 280 60.3 2.174 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6407 1833.1 2.7 scans 49% 285 m/z (70) 1.2% 0.0404% 1193 1.1 179 82860 1393759 1357629 1-1 16: 285 117 75 132 129 286 145 118 241 287 116 300 201 61 130 257 0.951 18.73 -6.6 94 96 83 96 300 16.8 0.884 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8469 1848.8 2.7 scans 94% 81 m/z 0.29% 0.369% 1213 0.9 525 344244 12750957 11546890 1-11 20: 81 82 95 68 57 123 69 55 83 67 79 264 71 96 97 124 109 53 111 278 0.992 18.87 -1.8 94 92 96 98 278 59.2 1.272 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1018 Fructose 18.9374 1855.7 2.8 scans 35% 103 m/z 4.3% 0.00848% 1221 0.7 79 22786 0.00950% 292466 258198 327434 3-1 9: 103 307 217 308 277 104 309 218 189 0.942 18.52 31.4 84 88 82 88 364 6.2 0.617 0.412 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1002 Phytol 18.8min 19.0910 1867.4 3.0 scans 94% 81 m/z 0.18% 0.532% 1236 0.8 631 542017 18342757 17740691 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.982 18.84 19.1 92 90 98 93 278 86.3 1.868 0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1068 Galactopyranose 19.3320 1885.8 2.8 scans 63% 204 m/z 1.4% 0.0315% 1259 1.1 156 69777 0.0435% 1088315 1003848 1499301 1-6 11: 204 191 205 192 206 193 189 148 305 243 291 0.916 19.32 1.3 80 77 74 85 435 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4698 1896.3 2.7 scans 91% 174 m/z 0.058% 0.310% 1272 0.9 506 1705572 10711429 10130369 1-1 20: 174 73 175 338 86 176 100 59 339 179 74 177 130 340 250 264 149 131 117 172 0.991 19.49 -1.5 96 94 95 96 338 98.2 3.784 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9096 1931.5 3.0 scans 85% TIC 0.25% 0.149% 1314 1.0 306 389413 0.486% 5136785 4232520 16750812 0-3 0.980 19.91 -0.2 96 94 94 99 361 13.4 0.191 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7829 2001.8 3.1 scans 92% TIC 0.24% 0.455% 1397 1.0 571 401439 0.516% 15693372 15069788 17784813 1-1 0.992 20.27 41.6 83 83 94 98 322 37.7 0.435 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1038 C16:0 21.1596 2033.4 4.0 scans 97% 313 m/z 0.024% 3.57% 1433 0.3 1399 4155354 123351951 121051372 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 201 315 69 269 74 285 1.000 20.62 45.1 94 99 99 100 328 162.8 1.356 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6552 2075.1 2.8 scans 81% 305 m/z 0.46% 0.156% 1480 1.0 345 214310 5388549 5240563 1-2 19: 305 217 147 318 191 306 265 319 204 218 307 432 433 320 367 129 291 192 219 0.993 21.75 -7.8 97 96 95 97 507 22.0 0.405 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1845 2120.3 4.8 scans 65% TIC 0.39% 0.162% 1530 1.2 293 255457 0.257% 5607970 5462417 8857940 1-0 0.903 22.19 -0.2 96 96 90 96 396 119.7 16.677 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2665 2127.5 >4 scans 62% TIC 1.3% 0.0578% 1538 1.3 198 74114 0.242% 1995510 1945274 8340940 0-1 0.992 22.33 -5.5 94 93 91 95 342 18.3 0.852 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1040 Phytol 22.6138 2157.8 3.4 scans 92% 143 m/z 0.051% 0.510% 1571 1.1 583 1951743 0.517% 17589268 17032086 17819280 3-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 97 83 82 67 74 68 0.996 22.08 46.3 80 82 90 96 181 9.8 0.028 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1872 2208.2 6.5 scans 100% 117 m/z 0.034% 8.94% 1625 0.2 1646 2910818 9.80% 308423766 274941647 337773584 0-8 20: 117 145 74 82 76 96 83 97 130 132 137 185 57 146 118 110 85 151 111 199 0.997 23.12 6.4 96 95 98 95 350 118.9 0.521 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1036 C18:0 23.4082 2228.4 2.8 scans 91% 341 m/z 0.079% 0.811% 1646 0.7 799 1252480 27965965 27020918 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 69 118 343 201 74 297 116 0.999 22.89 46.6 93 99 98 99 356 103.5 1.680 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7112 2256.1 2.8 scans 40% 163 m/z (95) 0.47% 0.0547% 1675 1.1 203 210669 1886894 1803289 3-3 9: 163 331 164 165 88 332 178 90 60 0.970 23.72 -0.8 93 94 91 97 331 45.5 5.022 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1416 2295.5 3.2 scans 37% 204 m/z (333) 0.60% 0.0457% 1716 0.9 175 165322 0.0570% 1576899 1525323 1964601 1-5 16: 204 217 205 147 337 103 206 338 218 219 191 339 361 203 243 319 0.966 24.01 12.0 89 91 85 93 490 0.0 0.000 0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1416 2295.5 3.2 scans 35% 204 m/z 0.61% 0.0390% 1716 0.9 170 162897 0.0487% 1347502 1303429 1678528 1-5 16: 204 217 205 147 337 103 206 338 218 219 191 339 361 203 243 319 0.666 24.18 -3.6 89 91 71 91 581 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2720 2307.7 >4 scans 30% 143 m/z (98) 0.88% 0.0255% 1728 1.0 120 112546 0.0511% 881097 806253 1761248 0-4 3: 143 144 156 0.944 24.23 3.9 84 87 80 86 362 7.4 0.379 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1018 myo-Inositol 25.2106 2396.9 3.3 scans 73% TIC 0.57% 0.135% 1818 1.2 298 173653 0.163% 4679983 4386906 5618071 2-1 0.983 25.21 0.1 97 96 96 100 470 20.2 0.459 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6210 2437.4 3.5 scans 26% 91 m/z 0.63% 0.0415% 1857 1.3 159 158228 0.0529% 1431767 1274358 1823288 6-3 14: 91 117 194 207 92 115 208 65 312 193 51 178 102 63 0.976 25.61 1.1 94 95 95 96 312 19.9 1.570 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4080 2516.0 3.5 scans 90% 204 m/z 0.014% 2.86% 1931 0.5 1335 6808287 2.99% 98858014 93037690 103055410 3-1 20: 204 73 205 147 217 495 206 117 363 273 496 130 129 191 74 103 231 319 143 75 1.000 26.35 6.0 97 96 98 96 495 213.8 2.587 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5574 2531.4 2.8 scans 40% 512 m/z 0.49% 0.120% 1945 1.0 296 200663 4153187 4082168 1-0 16: 512 455 247 513 456 514 483 248 349 263 457 423 497 484 409 515 0.952 26.57 -1.7 97 97 88 98 512 102.6 12.001 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9278 2569.7 2.7 scans 82% 371 m/z 0.052% 0.768% 1981 0.7 791 1922125 26474911 25619724 1-1 19: 371 372 147 57 129 205 239 203 459 373 55 71 103 116 145 75 101 85 117 0.995 26.39 55.1 90 97 97 100 459 99.5 1.584 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN LQC1-N1010 Sucrose 27.4139 2620.6 3.0 scans 53% 361 m/z 0.26% 0.214% 2027 0.8 367 376285 0.328% 7408368 6251869 11305075 0-5 10: 361 362 437 363 271 451 438 439 364 452 0.951 27.58 -17.6 98 97 94 99 437 66.9 3.325 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7260 2763.9 2.7 scans 87% 399 m/z 0.091% 0.453% 2152 0.8 603 1096747 15637536 15244474 1-1 19: 399 400 73 147 57 129 205 203 487 55 103 401 71 116 145 267 101 117 85 0.998 28.19 60.0 89 97 97 100 487 76.7 1.616 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN SQUALENE-N1017 Squalene STD 29.0785 2803.5 2.9 scans 36% TIC 0.99% 0.00973% 2185 1.4 152 100438 0.123% 335489 335489 4239403 0-0 0.953 29.09 -1.6 83 84 91 85 410 7.2 0.222 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1032 Sterol 29.17min 2814 29.1711 2814.0 3.6 scans 17% 99 m/z 1.1% 0.0162% 2194 1.5 100 84200 560419 526751 5-3 5: 99 283 269 356 355 0.840 29.17 0.3 82 85 68 82 355 11.1 1.217 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8308 2888.2 3.0 scans 62% 57 m/z 0.41% 0.103% 2257 1.2 278 242806 3551426 3176034 6-9 18: 57 71 85 55 99 83 56 97 113 70 127 84 141 112 98 155 58 72 0.987 29.83 0.5 100 100 99 100 408 16.9 0.370 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4211 2957.6 3.0 scans 49% 193 m/z (204) 0.88% 0.0969% 2313 0.9 257 113076 3341905 3076354 2-3 10: 193 119 105 163 120 176 194 515 171 247 0.983 30.36 7.5 81 82 88 85 529 10.9 0.182 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4632 2962.6 3.1 scans 45% 57 m/z 0.66% 0.0666% 2317 0.9 220 149531 0.0757% 2296049 2185629 2609129 1-2 15: 57 71 56 85 393 99 392 394 70 113 127 141 58 84 365 0.981 30.46 0.0 91 89 94 97 393 51.6 5.517 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2113 3051.5 3.3 scans 70% 57 m/z 0.22% 0.213% 2388 1.0 391 446048 0.268% 7342767 7090853 9237074 1-1 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 141 84 421 392 98 155 0.991 31.21 -0.0 99 98 99 99 393 59.0 2.280 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1048 Hentriacontane 31.5385 3090.3 3.3 scans 88% 57 m/z 0.038% 1.39% 2419 0.5 964 2571004 47989626 46333454 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 169 0.999 31.53 0.8 100 99 100 99 436 57.2 0.352 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6848 3107.7 6.9 scans 19% 204 m/z 1.1% 0.0185% 2433 1.1 138 87522 0.117% 639774 585784 4032603 0-3 16: 204 205 597 73 217 337 103 129 361 191 206 599 598 218 338 243 0.848 31.68 1.1 89 91 83 90 597 17.9 1.671 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8205 3123.8 2.9 scans 68% 502 m/z 0.16% 0.222% 2446 0.8 404 594855 7684927 7353739 1-1 15: 502 237 503 236 238 504 277 221 208 223 505 239 193 275 235 0.981 31.79 3.4 100 99 97 100 502 198.0 23.981 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9478 3138.9 3.2 scans 75% 329 m/z 0.36% 0.416% 2458 0.9 541 275336 14342647 13432312 1-0 17: 329 129 368 458 353 95 119 107 330 145 105 121 81 328 369 93 91 0.996 31.87 9.5 95 93 95 99 458 78.8 2.125 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1162 3158.9 3.1 scans 62% 57 m/z 0.13% 0.335% 2474 0.9 510 759850 0.422% 11568264 11232936 14544944 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 127 111 141 84 58 393 0.993 32.11 0.7 97 96 99 99 421 117.6 5.308 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1004 Campesterol 32.7864 3238.5 3.6 scans 48% 343 m/z 0.39% 0.393% 2538 0.8 485 254597 13566864 11756706 4-1 15: 343 129 382 472 367 344 107 121 383 342 119 145 105 159 473 0.939 32.21 68.4 83 95 83 97 472 76.7 2.502 0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1046 Stigmasterol 32.9948 3263.3 4.2 scans 58% 83 m/z (204 133) 0.13% 1.29% 2557 0.4 810 753922 1.33% 44688792 41319047 45840701 0-1 20: 83 129 255 484 394 55 159 351 355 145 485 139 97 213 379 395 354 256 253 215 0.959 32.98 1.5 89 93 87 93 665 8.1 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1231 3278.5 3.5 scans 85% 57 m/z 0.045% 1.31% 2570 0.5 902 2197704 45209654 44394341 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 98 155 112 126 169 0.992 33.10 3.1 88 86 97 92 515 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN WTF2-N1034 b-Sitosterol 33.4882 3321.9 3.6 scans 75% 129 m/z 0.19% 0.806% 2604 0.6 721 505186 0.983% 27808210 27186711 33880759 2-3 19: 129 357 396 486 381 95 75 121 358 397 107 119 145 81 356 57 105 159 55 0.995 32.88 72.6 85 97 98 99 486 106.5 2.184 0.611 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5987 3335.0 3.2 scans 53% 386 m/z 0.87% 0.227% 2615 0.9 394 114036 0.417% 7851565 7373497 14372611 3-2 8: 386 296 281 387 119 257 371 159 0.982 33.58 1.7 93 91 94 98 505 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7513 3353.1 3.7 scans 38% 218 m/z 0.23% 0.186% 2629 0.9 340 424467 6443220 6160583 2-2 13: 218 203 190 189 135 107 121 175 119 94 136 137 279 0.894 34.08 -39.3 85 91 82 93 498 23.0 0.459 -0.331 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8912 3369.7 3.5 scans 10% 441 m/z 1.2% 0.0209% 2643 1.0 113 82697 721872 721872 0-0 5: 441 442 646 308 443 0.706 33.80 11.3 96 97 72 96 646 21.5 3.609 0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2163 3408.4 3.8 scans 32% 99 m/z 0.68% 0.0920% 2673 0.9 230 146311 3173409 2956627 2-1 10: 99 499 169 500 100 383 509 510 501 451 0.954 34.22 -0.3 94 94 90 96 499 61.2 7.107 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5836 3452.0 3.9 scans 39% 596 m/z 0.34% 0.132% 2708 0.9 274 288328 4550549 4430030 1-5 16: 596 597 598 331 316 599 302 356 315 318 303 332 317 300 342 600 0.962 34.47 13.3 97 96 88 99 596 137.8 25.294 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 1.9 scans 78% 207 m/z 0.45% 0.0397% 27 1.1 206 226218 1393800 1275129 1-6 17: 207 73 295 208 209 296 191 297 279 74 193 189 133 177 210 247 192 0.990 6.63 -15.0 98 97 90 98 295 64.3 9.738 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1192 Contamination 7.9630 1142.6 2.7 scans 95% 147 m/z 0.093% 0.463% 178 0.8 575 1109921 16267607 15265236 1-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.999 7.99 -1.6 97 96 97 97 235 118.3 4.240 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1188 Contamination 8.3092 1163.1 3.2 scans 48% 281 m/z 3.5% 0.00998% 211 2.2 77 29088 350296 328064 1-2 10: 281 369 282 370 283 207 265 371 249 191 0.885 8.41 -6.3 95 95 89 95 369 25.9 11.306 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1186 Phosphate 8.4986 1174.4 2.3 scans 96% 241 m/z 0.045% 0.415% 229 1.0 601 2281034 14579874 13896717 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 137 119 134 212 257 181 1.000 8.56 -3.6 100 99 99 100 299 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1180 Benzoic acid 9.6654 1243.0 3.4 scans 33% 179 m/z 5.6% 0.00626% 340 0.8 60 18235 0.00790% 219667 219667 277112 0-0 6: 179 105 135 180 51 194 0.592 9.76 -5.5 93 93 82 95 194 10.3 2.988 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN VEN77_S6-N1002 Glycerol 10.0326 1264.5 5.6 scans 99% 301 m/z 0.012% 4.33% 375 0.4 1292 8506948 151960995 151751878 1-0 20: 301 316 302 317 267 255 197 270 286 223 239 182 152 304 164 224 114 241 257 127 1.000 10.09 -3.5 98 96 92 99 299 714.2 30.708 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN TAB_REP6-N1012 Proline 10.4304 1287.7 4.2 scans 74% TIC 0.71% 0.0304% 413 0.8 130 144403 0.0330% 1068682 1009868 1157556 0-1 0.945 10.53 -6.1 96 95 92 96 216 21.8 2.815 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1174 Proline 10.4335 1287.9 3.4 scans 74% 142 m/z 0.66% 0.0312% 413 0.8 130 156515 1096065 994856 15-0 8: 142 143 216 144 72 74 59 100 0.947 10.55 -6.5 96 96 93 96 142 96.9 55.562 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6608 1301.3 3.1 scans 63% 199 m/z 1.2% 0.0527% 435 0.9 179 84680 0.0609% 1850750 1666881 2136218 12-2 20: 199 75 117 73 145 132 129 200 131 118 74 61 76 79 155 72 201 96 157 95 0.763 10.73 -4.3 95 94 91 99 209 5.3 0.000 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9986 1321.6 2.7 scans 60% 184 m/z 4.1% 0.00926% 467 1.0 83 24670 325010 310575 1-1 12: 184 134 285 174 100 86 185 227 286 135 110 172 0.984 11.06 -3.9 95 96 86 96 285 26.5 10.177 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1162 Fumaric acid 11.2711 1338.0 >3 scans 37% TIC 6.7% 0.000898% 493 0.9 45 15332 0.0702% 31503 31503 2462438 0-0 0.954 11.39 -7.3 90 90 75 90 245 30.3 46.022 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3700 1343.9 3.9 scans 90% TIC 0.45% 0.0946% 502 0.9 223 227697 0.137% 3320186 3109174 4805613 1-0 1.000 11.45 -4.6 98 96 97 99 145 63.9 8.208 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1146 Malic acid 13.4544 1472.6 2.5 scans 88% 73 m/z (231) 0.53% 0.0651% 700 1.2 225 192167 2285748 2140653 2-1 19: 73 147 233 245 133 189 190 148 175 191 74 335 55 234 101 149 246 217 307 0.998 13.62 -10.2 94 95 91 95 350 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN TAB_REP6-N1026 Malic acid 13.4544 1472.6 2.5 scans 87% 73 m/z 0.53% 0.0613% 700 1.2 224 194278 2151618 2015038 2-1 19: 73 147 233 245 133 189 190 148 175 191 74 335 55 234 101 149 246 217 307 0.996 13.53 -5.0 97 96 94 96 335 26.3 1.378 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1138 Pyroglutamic acid 13.9584 1504.6 3.8 scans 64% TIC 1.3% 0.0284% 748 1.5 125 78621 998632 987345 0-1 0.770 14.11 -10.1 81 75 77 94 273 0.0 0.000 -0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5603 1544.5 3.2 scans 78% TIC 0.72% 0.0714% 805 0.7 202 143207 2506971 2228400 4-3 0.964 14.62 -4.1 97 96 94 97 409 12.7 0.395 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1044 Dodecanol 14.7181 1555.0 2.7 scans 90% TIC 0.41% 0.0694% 820 0.9 224 249420 0.0879% 2435754 2346091 3083310 4-1 0.998 14.24 31.6 97 98 98 99 243 122.3 29.690 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1838 1654.6 3.0 scans 80% 290 m/z 0.33% 0.0796% 960 1.6 212 305004 2795293 2756196 0-3 14: 290 291 292 392 158 144 131 115 393 293 100 172 159 394 0.953 16.28 -6.5 97 96 93 99 392 30.7 2.100 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5384 1679.3 2.8 scans 91% 55 m/z 0.30% 0.173% 993 1.1 331 338655 0.192% 6102656 5151416 6734874 9-4 20: 55 69 83 73 56 97 70 57 84 111 82 127 113 98 68 71 67 140 125 96 0.999 16.63 -6.1 99 98 98 98 210 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1010 Glycerol-P 17.4748 1746.6 3.0 scans 96% 357 m/z 0.036% 2.07% 1082 0.5 1172 2847267 72736102 70447135 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 301 103 387 101 256 133 129 328 218 1.000 16.97 37.1 96 99 98 99 445 189.0 2.603 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5453 1751.7 2.5 scans 56% 217 m/z 1.2% 0.0204% 1089 1.1 130 81816 0.131% 717401 661224 4595148 0-1 11: 217 218 450 219 191 451 232 305 257 203 452 0.990 17.63 -6.3 86 85 80 86 450 20.3 2.430 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN TAB_REP6-N1048 Citric acid 18.2314 1801.9 2.7 scans 27% 273 m/z 5.7% 0.00602% 1154 1.3 68 18001 211410 192900 1-1 9: 273 347 274 363 375 211 465 275 376 0.785 18.24 -0.9 83 84 53 88 465 10.9 2.594 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.1 scans 95% TIC 0.030% 3.17% 1173 0.5 1213 3339304 111411107 107249883 1-3 0.994 17.91 38.3 96 99 98 99 327 115.1 0.901 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1012 Phytol 18.5565 1826.7 3.1 scans 97% 68 m/z 0.077% 1.34% 1185 0.6 927 1328148 1.47% 47016062 46462022 51563879 1-0 20: 68 95 82 57 123 69 55 81 83 67 97 71 96 109 124 111 56 79 70 53 1.000 18.04 38.6 94 98 99 99 278 55.6 0.359 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1016 Hexadecene 18.6196 1831.5 2.6 scans 87% 70 m/z 0.28% 0.175% 1191 1.1 368 361680 0.917% 6164729 5906253 32166039 0-1 18: 70 69 55 57 71 83 56 111 125 126 97 280 84 85 140 67 112 98 0.986 18.10 39.1 85 86 94 97 280 56.7 2.369 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6470 1833.6 2.7 scans 65% 285 m/z (70) 1.1% 0.0470% 1194 1.0 178 87390 0.377% 1651818 1487697 13224206 11-1 17: 285 117 75 132 129 286 145 131 118 300 241 201 116 130 61 257 146 0.973 18.73 -6.1 94 95 87 96 300 18.0 1.029 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1076 Pregnane?? 18.7648 1842.5 2.7 scans 74% 345 m/z 1.4% 0.0333% 1205 1.0 164 73738 1171262 1109847 1-1 11: 345 73 255 147 346 347 334 256 435 193 243 0.990 18.86 -7.2 85 84 76 84 537 6.7 0.164 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1002 Phytol 18.8min 18.8511 1849.1 2.7 scans 93% 81 m/z 0.26% 0.367% 1213 1.0 519 385758 12884432 12230216 1-3 20: 81 82 95 68 123 57 55 69 83 67 79 71 96 97 124 109 278 53 111 110 0.994 18.84 0.8 94 93 98 95 278 60.9 1.376 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8564 1849.5 3.1 scans 100% 264 m/z 0.29% 0.450% 1214 1.4 497 346192 15814054 13780333 1-13 14: 264 279 265 266 192 280 242 222 194 281 206 237 100 270 0.997 18.87 -1.1 93 91 96 96 278 58.2 1.369 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1074 Adenine 18.8564 1849.5 3.1 scans 6.5% 264 m/z (81) 0.98% 0.0299% 1214 1.4 124 105275 1050209 915150 1-13 14: 264 279 265 266 192 280 242 222 194 281 206 237 100 270 0.744 18.94 -6.4 88 91 66 96 415 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0973 1867.9 3.0 scans 91% 81 m/z 0.21% 0.492% 1236 0.8 567 477578 17265070 17151327 1-0 20: 81 68 57 123 69 55 83 79 67 71 97 109 124 278 111 53 56 110 85 70 0.992 18.58 39.5 92 94 98 99 278 79.3 1.955 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1068 Galactopyranose 19.3351 1886.1 2.9 scans 59% 204 m/z 1.4% 0.0279% 1259 1.3 139 69624 0.0614% 979064 913348 2153757 2-6 11: 204 191 205 206 192 218 193 291 231 228 219 0.875 19.32 1.6 84 84 85 88 435 4.9 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4730 1896.6 2.7 scans 90% 174 m/z 0.10% 0.180% 1272 1.0 365 954017 6344371 6179396 1-1 20: 174 73 175 338 176 86 100 59 339 179 74 161 177 340 130 87 250 264 158 172 0.999 19.49 -1.2 93 91 93 95 338 70.2 3.711 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9138 1931.8 3.0 scans 87% TIC 0.24% 0.155% 1314 1.1 305 418412 0.337% 5448821 4646019 11821107 0-2 0.996 19.91 0.1 96 93 95 99 361 13.6 0.198 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7872 2002.1 3.1 scans 92% TIC 0.28% 0.392% 1397 1.1 520 361167 0.453% 13783846 13704509 15890093 0-1 0.993 20.27 41.9 82 83 94 98 322 35.6 0.468 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1038 C16:0 21.1638 2033.8 4.0 scans 97% 117 m/z 0.024% 3.71% 1433 0.4 1384 4302151 130211470 130149403 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 57 328 118 69 74 201 315 269 116 1.000 20.62 45.5 94 99 99 100 328 158.6 1.316 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6584 2075.3 3.0 scans 88% TIC 0.20% 0.328% 1480 0.6 475 504492 0.578% 11526765 11499653 20274777 0-1 0.986 21.75 -7.6 99 98 97 98 507 30.4 0.411 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1897 2120.8 11.3 scans 64% TIC 0.57% 0.102% 1530 1.1 230 178231 0.206% 3581789 3377618 7225959 1-0 0.978 22.19 0.3 95 95 87 95 396 97.9 18.117 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2697 2127.7 >3 scans 58% TIC 1.2% 0.0504% 1538 2.3 187 81157 0.188% 1770521 1770521 6594564 0-0 0.984 22.33 -5.3 94 93 91 95 342 16.6 0.787 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3939 2138.6 3.0 scans 21% 204 m/z 4.4% 0.00550% 1550 1.1 63 23401 0.0552% 193017 174957 1936276 4-0 5: 204 249 205 265 206 0.801 22.71 -27.9 81 85 76 87 518 0.0 0.000 -0.320 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1040 Phytol 22.6180 2158.2 3.3 scans 91% 143 m/z 0.056% 0.447% 1571 1.0 534 1825230 0.462% 15714256 15465713 16205791 2-2 20: 143 73 75 144 123 81 57 55 145 124 95 69 103 71 97 82 83 67 96 74 0.997 22.08 46.7 80 82 90 96 181 9.6 0.032 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 5.7 scans 94% TIC 0.033% 7.29% 1626 0.2 1621 3112462 8.85% 255955090 249157200 310435600 0-2 0.997 23.12 6.8 96 95 98 95 350 114.6 0.499 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1036 C18:0 23.4134 2228.9 2.7 scans 91% 341 m/z 0.072% 0.843% 1647 0.7 797 1425257 0.848% 29601569 28766311 29745694 2-1 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 201 343 74 297 313 0.999 22.89 47.1 93 98 98 99 356 105.3 1.746 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7175 2256.7 2.9 scans 22% 163 m/z 0.64% 0.0342% 1676 0.9 152 159941 0.0409% 1201014 1089398 1434668 3-8 9: 163 331 164 165 332 88 90 60 166 0.667 23.72 -0.2 91 93 68 95 331 37.9 6.171 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN N479_R~1-N1006 17-Methyltestosterone 23.8638 2270.1 >7 scans 25% TIC 1.7% 0.00794% 1690 0.9 138 58732 0.163% 278790 278790 5717627 0-0 0.855 23.88 -1.2 84 86 66 85 450 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1447 2295.8 3.2 scans 41% 204 m/z (333 355) 0.56% 0.0589% 1716 0.9 182 183799 0.0734% 2068050 1819072 2574686 0-9 13: 204 205 217 337 147 103 206 338 218 191 219 339 362 0.959 24.01 12.3 89 93 87 94 490 0.0 0.000 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1447 2295.8 3.2 scans 38% 204 m/z (333) 0.56% 0.0551% 1716 0.9 176 183781 0.0686% 1933997 1701158 2406314 0-9 13: 204 205 217 337 147 103 206 338 218 191 219 339 362 0.967 24.18 -3.3 90 92 83 91 581 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1018 myo-Inositol 25.2137 2397.2 3.7 scans 60% TIC 0.73% 0.0937% 1818 1.4 259 141269 0.263% 3289859 3221632 9225374 0-2 0.955 25.21 0.4 98 97 95 99 470 18.3 0.501 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6294 2438.3 3.4 scans 39% 91 m/z 0.71% 0.0362% 1857 1.3 145 143523 0.0473% 1271251 1196405 1659164 4-3 14: 91 117 194 207 92 208 115 65 312 193 104 51 102 178 0.975 25.61 2.0 97 97 95 96 312 18.1 1.554 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3059 2505.5 3.5 scans 39% TIC 0.59% 0.0208% 1922 1.1 188 173080 0.111% 731302 714891 3893599 0-1 0.944 25.86 44.8 86 91 93 98 361 6.4 0.000 0.450 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4038 2515.6 3.2 scans 93% 204 m/z 0.018% 1.94% 1931 0.6 1120 5456152 68199356 65500217 1-1 20: 204 73 205 147 495 217 206 117 363 496 273 130 129 191 74 103 143 75 319 231 1.000 26.35 5.6 97 96 98 96 495 181.3 2.643 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5627 2532.0 3.4 scans 58% TIC 0.37% 0.152% 1946 2.0 321 274072 1.43% 5353977 5242043 50160781 0-1 0.931 26.57 -1.1 98 98 90 99 512 103.9 10.489 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9341 2570.4 2.9 scans 87% 371 m/z 0.043% 0.986% 1981 0.7 828 2369630 34590631 33844126 2-1 20: 371 372 73 147 57 129 205 203 459 239 373 55 103 71 116 75 101 145 117 85 1.000 26.39 55.8 90 97 97 99 459 106.7 1.663 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN LQC1-N1010 Sucrose 27.4160 2620.8 3.0 scans 65% 361 m/z 0.13% 0.453% 2027 1.2 500 780761 15894647 11036817 1-21 18: 361 73 217 362 437 147 363 103 271 451 218 438 243 319 191 439 74 452 0.958 27.58 -17.4 99 98 95 99 437 91.5 3.349 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7313 2764.5 2.7 scans 87% 399 m/z 0.068% 0.584% 2152 0.9 669 1508198 20488887 19186182 1-1 20: 399 400 73 147 129 57 205 203 487 401 55 103 71 116 145 101 117 75 267 85 0.999 28.19 60.6 89 97 97 100 487 88.3 1.744 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN SQUALENE-N1017 Squalene STD 29.0858 2804.4 2.9 scans 42% 69 m/z (204) 0.66% 0.0519% 2186 1.1 185 155498 1820976 1651780 1-1 18: 69 81 68 137 136 95 121 123 93 67 149 107 82 70 135 94 53 341 0.970 29.09 -0.7 88 92 94 90 410 10.1 0.299 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1032 Sterol 29.17min 2814 29.1753 2814.4 3.6 scans 20% 99 m/z 0.89% 0.0263% 2194 1.4 118 115681 0.0279% 923674 767745 978661 6-4 7: 99 100 283 356 355 255 357 0.868 29.17 0.7 86 87 74 88 355 12.7 1.148 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8350 2888.6 3.0 scans 51% 57 m/z 0.42% 0.118% 2257 1.5 270 245882 4156894 3348451 6-7 18: 57 71 85 55 99 69 56 83 97 70 113 84 141 98 112 58 155 140 0.946 29.83 0.9 93 90 98 99 408 16.6 0.376 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1038 Hexacosanol 30.1812 2929.1 2.9 scans 5.3% 439 m/z 4.1% 0.00438% 2290 1.0 56 24899 0.00599% 153771 138377 210114 0-1 3: 439 440 441 0.786 30.17 1.0 94 98 60 97 439 38.6 48.011 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4263 2958.2 3.2 scans 35% 193 m/z 0.96% 0.0718% 2313 1.1 219 107012 2520018 2339763 1-3 12: 193 119 105 163 120 194 176 515 325 247 516 248 0.916 30.36 8.1 83 86 81 86 529 11.0 0.254 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4684 2963.2 3.2 scans 37% 57 m/z 0.74% 0.0576% 2317 0.8 202 139013 0.0787% 2021297 1804691 2760597 1-3 15: 57 71 56 85 393 55 99 392 394 70 113 141 58 84 365 0.971 30.46 0.6 90 88 93 96 393 47.9 5.643 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2155 3052.0 3.1 scans 67% 57 m/z 0.21% 0.216% 2388 1.0 387 473589 7579650 7354259 1-1 20: 57 71 85 55 99 56 69 393 83 97 113 70 127 84 111 141 421 394 392 155 0.983 31.21 0.5 99 98 99 99 393 60.3 2.433 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1048 Hentriacontane 31.5448 3091.1 3.5 scans 85% 57 m/z 0.044% 1.35% 2420 0.5 880 2318946 47478610 45405912 1-3 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 183 112 169 0.999 31.53 1.6 100 99 100 100 436 54.5 0.384 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6858 3107.8 3.6 scans 20% 204 m/z 0.97% 0.0224% 2433 1.0 148 105524 0.151% 785984 729620 5296698 0-2 16: 204 217 205 73 597 337 103 129 206 598 191 338 361 599 339 219 0.940 31.68 1.2 88 88 83 90 597 18.5 1.556 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8237 3124.2 2.8 scans 64% 502 m/z 0.16% 0.215% 2446 1.0 404 643847 7557624 6778972 1-1 15: 502 237 503 73 236 238 504 277 221 505 208 223 239 193 224 0.980 31.79 3.8 99 98 97 100 502 196.5 23.633 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9541 3139.7 3.4 scans 69% 329 m/z 0.45% 0.359% 2459 0.8 465 224711 12613999 12250888 1-1 15: 329 129 368 458 353 330 119 328 369 105 107 121 145 91 247 0.995 31.87 10.3 95 93 95 99 458 68.5 2.165 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1214 3159.6 4.1 scans 66% TIC 0.13% 0.359% 2474 1.0 503 780279 0.766% 12606356 12311868 26869341 1-0 0.994 32.11 1.4 97 95 99 99 421 112.8 5.029 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1004 Campesterol 32.7917 3239.2 3.5 scans 46% 343 m/z 0.46% 0.300% 2538 0.8 423 220528 10530512 9910503 1-1 16: 343 129 382 367 472 344 121 342 145 107 383 119 105 473 255 130 0.892 32.21 69.1 83 95 82 97 472 65.8 2.421 0.582 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1046 Stigmasterol 32.9979 3263.6 3.8 scans 60% 83 m/z (309) 0.13% 0.983% 2558 0.5 715 738473 0.991% 34515081 33653961 34761772 3-0 16: 83 129 255 394 55 484 159 351 145 355 119 485 139 379 105 91 0.987 32.98 1.8 89 90 85 91 665 5.9 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1242 3278.6 3.2 scans 84% 57 m/z 0.049% 1.14% 2570 0.6 846 2102515 40207586 40192263 0-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 169 126 0.991 33.10 3.2 88 85 97 93 515 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3472 3305.1 3.2 scans 27% 99 m/z 1.6% 0.0847% 2591 0.9 240 63615 2972264 2787966 6-1 12: 99 437 529 189 199 438 530 287 439 451 453 200 0.904 33.38 -3.8 84 82 78 90 529 33.1 1.901 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN WTF2-N1034 b-Sitosterol 33.4935 3322.5 3.6 scans 69% 129 m/z 0.23% 0.655% 2605 0.7 634 432241 0.769% 22975992 21018920 26974574 1-5 19: 129 357 396 486 381 397 95 358 107 119 145 121 75 57 105 356 81 159 487 0.994 32.88 73.2 85 97 98 99 486 94.5 2.219 0.616 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6061 3335.9 3.3 scans 49% 386 m/z 0.89% 0.236% 2615 0.9 372 115772 0.287% 8294897 7636377 10067234 5-14 6: 386 296 281 387 257 371 0.973 33.58 2.6 92 91 93 97 505 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7586 3354.0 3.8 scans 39% 218 m/z 0.21% 0.207% 2630 0.9 341 475455 7294224 6736921 1-4 14: 218 203 190 189 107 135 119 175 121 94 136 498 137 279 0.872 34.08 -38.4 85 92 80 93 498 25.1 0.544 -0.323 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8954 3370.2 3.3 scans 10% 441 m/z 1.0% 0.0224% 2643 1.1 116 95573 786276 728269 1-1 6: 441 442 308 646 647 443 0.707 33.80 11.8 94 95 71 95 646 21.8 3.492 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2227 3409.1 3.4 scans 45% 99 m/z 0.37% 0.154% 2674 0.9 309 275036 5413221 5006241 3-1 11: 99 499 169 361 500 362 100 383 257 230 267 0.970 34.22 0.4 98 97 94 99 499 81.6 6.951 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N406_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5888 3452.6 3.6 scans 35% 596 m/z 0.35% 0.119% 2709 1.0 257 288123 4185479 4059877 1-2 16: 596 597 598 316 302 599 356 315 318 332 303 317 330 300 357 600 0.950 34.47 13.9 97 96 89 99 596 131.4 26.124 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 2.8 scans 43% 207 m/z (73) 2.0% 0.0116% 27 2.2 89 48702 419019 401638 0-9 8: 207 295 208 209 296 191 193 297 0.984 6.63 -15.0 90 92 76 92 295 30.5 11.677 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1192 Contamination 7.9746 1143.3 2.7 scans 96% 73 m/z 0.068% 0.599% 180 0.7 668 1473646 21625377 20032216 2-1 20: 73 147 133 220 235 148 59 146 72 86 74 75 89 149 160 103 100 131 134 236 1.000 7.99 -0.9 99 98 98 99 235 133.6 4.001 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1188 Contamination 8.3187 1163.7 3.3 scans 45% 281 m/z 8.2% 0.00557% 212 2.1 59 12185 200959 200959 0-1 7: 281 369 282 283 370 265 207 0.845 8.41 -5.7 86 85 59 91 369 16.5 7.764 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1186 Phosphate 8.5018 1174.6 2.4 scans 94% 241 m/z 0.19% 0.0991% 230 1.1 296 527923 3578679 3471466 1-1 20: 241 242 133 211 73 163 256 243 135 195 98 59 89 119 137 147 212 164 134 181 1.000 8.56 -3.4 100 100 99 100 299 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN VEN77_S6-N1002 Glycerol 10.0516 1265.6 6.6 scans 98% 73 m/z 0.013% 4.17% 377 0.3 1217 7311685 150598292 150598292 0-0 20: 73 133 302 74 75 59 131 119 134 298 285 72 105 303 89 132 190 178 85 139 1.000 10.09 -2.4 98 96 91 99 299 680.1 31.424 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LACTIC~1-N1034 Glycerol 10.0516 1265.6 6.6 scans 23% 73 m/z (299 300) 0.046% 1.01% 377 0.3 597 2141508 36708220 36708220 0-0 20: 73 133 302 74 75 59 131 119 134 298 285 72 105 303 89 132 190 178 85 139 0.777 10.11 -3.4 81 84 85 90 293 22.7 0.145 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN TAB_REP6-N1012 Proline 10.4336 1287.9 6.0 scans 59% TIC 2.2% 0.00908% 413 0.9 71 44798 0.0662% 327741 327741 2388302 0-0 0.954 10.53 -5.9 92 92 86 92 216 11.5 2.607 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1174 Proline 10.4346 1288.0 4.0 scans 63% 142 m/z 1.8% 0.00989% 413 0.8 74 53806 0.0101% 357063 340860 364378 0-1 4: 142 143 216 144 0.985 10.55 -6.4 91 93 88 93 142 58.3 62.509 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6640 1301.4 3.0 scans 72% 199 m/z 1.2% 0.0493% 435 0.8 184 82049 1780565 1762133 3-0 16: 199 117 145 132 129 200 131 118 67 81 61 76 72 155 201 119 0.843 10.73 -4.2 96 95 93 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1168 Glyceric acid 10.9449 1318.4 2.9 scans 51% 73 m/z 5.5% 0.00514% 462 1.2 66 17977 0.00725% 185662 182561 261559 1-0 10: 73 189 147 292 103 205 133 102 293 117 0.803 11.05 -6.5 81 80 80 87 292 18.0 7.387 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9986 1321.6 2.8 scans 64% 184 m/z 3.2% 0.0116% 467 0.9 96 30594 0.0120% 419399 415902 432925 1-0 16: 184 134 285 174 77 86 100 185 227 59 172 286 175 186 130 110 0.990 11.06 -3.9 97 97 90 97 285 30.3 10.027 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3721 1344.1 4.0 scans 60% 57 m/z 0.51% 0.0771% 502 0.7 207 194875 0.0819% 2782959 2673739 2954712 2-1 18: 57 97 115 145 127 69 56 129 59 111 128 109 58 72 87 146 98 114 0.678 11.45 -4.4 97 98 95 99 145 58.9 8.113 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3827 1344.7 2.9 scans 48% 84 m/z 0.36% 0.0579% 503 1.1 213 274315 0.0696% 2090049 2090049 2510964 0-0 19: 84 133 162 161 119 92 85 82 51 118 130 65 78 134 63 117 64 52 91 0.665 10.96 25.7 93 94 92 97 161 54.2 6.477 0.427 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9490 1504.0 2.9 scans 44% 156 m/z 3.7% 0.00457% 747 0.9 59 26887 165209 165209 1-0 6: 156 157 232 258 230 158 0.968 14.11 -10.7 85 83 77 91 273 0.0 0.000 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2636 1524.8 2.6 scans 55% 263 m/z 1.0% 0.0183% 777 1.0 125 97262 662382 656036 0-1 15: 263 264 278 447 239 265 279 448 175 342 207 449 247 240 128 0.976 14.33 -4.2 85 79 82 96 278 31.1 6.232 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5635 1544.7 2.8 scans 58% 73 m/z 3.3% 0.0107% 806 1.0 91 30217 0.0114% 388686 337236 411279 2-2 16: 73 292 147 205 220 217 199 293 103 117 221 74 294 143 133 149 0.990 14.62 -3.9 81 79 78 84 409 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1044 Dodecanol 14.7160 1554.8 2.6 scans 60% 243 m/z 2.1% 0.0123% 820 1.0 102 47311 444698 430435 1-1 11: 243 244 103 89 97 61 101 245 111 76 115 0.956 14.24 31.4 94 96 87 97 243 54.7 28.910 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1828 1654.6 2.9 scans 47% 290 m/z (143) 1.5% 0.0198% 960 1.8 110 65960 716448 636976 1-3 5: 290 291 292 158 392 0.938 16.28 -6.5 88 87 77 97 392 13.2 1.451 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1010 Glycerol-P 17.4791 1746.9 2.9 scans 97% 299 m/z 0.030% 2.36% 1083 0.6 1326 3310817 85465040 82994126 1-1 20: 299 357 73 147 315 358 300 370 211 445 103 101 129 256 133 301 359 218 387 131 0.998 16.97 37.4 96 99 98 99 445 203.7 2.361 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4176 1816.1 4.0 scans 95% TIC 0.032% 2.74% 1172 0.6 1223 3073888 99164704 93839620 1-2 0.994 17.91 37.9 96 99 98 100 327 113.8 0.867 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1012 Phytol 18.5534 1826.4 2.9 scans 97% 68 m/z 0.071% 1.27% 1185 0.6 970 1409232 1.38% 45860918 44999194 49786359 1-0 20: 68 95 82 57 123 55 69 81 67 83 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.3 94 98 99 99 278 54.6 0.317 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1016 Hexadecene 18.6165 1831.2 2.9 scans 88% TIC 0.38% 0.148% 1191 1.5 324 259847 3.88% 5369740 5206513 139979038 0-1 0.997 18.10 38.8 84 85 93 97 280 45.4 1.963 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6428 1833.2 2.7 scans 48% 285 m/z (70) 1.9% 0.0256% 1193 1.1 143 51401 926955 924365 2-0 17: 285 117 75 132 129 286 145 118 131 287 116 241 300 61 201 257 130 0.932 18.73 -6.5 93 95 82 95 300 13.2 0.853 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1076 Pregnane?? 18.7659 1842.6 2.6 scans 50% 345 m/z 3.1% 0.0106% 1205 1.0 97 32046 385327 385327 0-0 9: 345 346 255 347 256 334 148 435 257 0.895 18.86 -7.1 85 85 73 85 537 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1002 Phytol 18.8min 18.8459 1848.7 2.7 scans 92% 81 m/z 0.45% 0.217% 1213 1.1 402 218663 7862676 7241037 1-11 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 264 56 278 53 0.995 18.84 0.4 96 95 99 96 278 44.2 1.208 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9427 1856.1 2.9 scans 72% TIC 1.2% 0.0294% 1222 1.1 157 80947 0.208% 1061118 1061118 7504031 0-0 0.987 18.40 41.1 88 91 86 96 364 13.5 0.736 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1018 Fructose 19.0606 1865.1 3.1 scans 29% 73 m/z 1.7% 0.0218% 1233 1.4 122 57963 0.0332% 789482 720105 1197759 1-5 20: 73 103 307 217 147 308 277 218 104 309 262 205 89 364 74 219 189 133 148 206 0.968 18.52 40.8 85 91 88 94 364 11.7 0.906 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0921 1867.5 2.7 scans 95% 81 m/z 0.21% 0.411% 1236 0.9 578 478024 14833045 14514008 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 56 53 1.000 18.58 39.1 93 96 98 99 278 75.4 1.703 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN BRA4_R~2-N1004 Galactose 19.2636 1880.6 2.7 scans 54% 319 m/z 2.5% 0.0145% 1252 1.1 108 40005 525911 525911 0-0 13: 319 205 160 147 320 321 206 229 148 89 207 218 157 0.973 19.36 -7.5 92 92 85 92 364 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4698 1896.3 2.6 scans 74% 174 m/z 0.27% 0.0597% 1272 1.1 225 368427 2154367 2024922 1-1 16: 174 175 86 338 176 100 59 339 179 340 130 264 250 172 87 158 0.989 19.49 -1.5 91 91 91 92 338 42.9 3.625 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7777 2001.3 3.1 scans 85% 79 m/z 0.51% 0.205% 1396 1.5 371 195695 0.228% 7412714 6962854 8225572 1-6 20: 79 75 67 93 95 91 80 108 55 129 94 81 307 77 135 107 78 92 163 136 0.904 20.27 41.1 80 83 92 97 322 21.0 0.321 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1038 C16:0 21.1502 2032.6 3.2 scans 97% 313 m/z 0.033% 2.11% 1432 0.4 1194 3004246 76199967 74389835 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 69 201 315 74 269 285 1.000 20.62 44.3 94 99 99 100 328 133.7 1.257 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6658 2075.9 2.8 scans 57% 305 m/z 1.4% 0.0423% 1481 1.0 180 68473 1528554 1479566 3-1 15: 305 217 147 318 306 319 265 204 218 307 432 320 433 367 291 0.997 21.75 -7.0 94 94 91 93 507 11.4 0.406 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9604 2100.7 2.8 scans 65% 327 m/z 1.4% 0.0494% 1509 1.2 193 71504 0.0721% 1784213 1717813 2601157 0-3 11: 327 117 132 129 145 328 342 118 201 116 283 0.977 22.33 -32.3 93 95 91 98 342 23.0 1.411 -0.370 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1782 2119.8 2.9 scans 32% 396 m/z 1.8% 0.0218% 1529 1.3 126 54070 0.0230% 789133 789133 829773 0-0 15: 396 219 397 381 398 220 382 249 248 233 293 164 399 221 383 0.874 22.19 -0.7 88 88 50 90 396 58.5 21.418 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1042 C18:2 23.0473 2195.7 4.5 scans 75% 73 m/z (342) 0.10% 0.982% 1612 1.6 659 957387 3.57% 35450213 32248052 128795146 1-0 20: 73 191 74 155 213 241 156 192 169 153 218 195 183 127 59 332 103 205 101 197 0.978 22.53 44.9 85 92 94 97 352 34.6 0.275 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1715 2206.8 4.7 scans 94% 79 m/z 0.044% 4.08% 1624 0.3 1411 2239914 5.05% 147350857 144673646 182189212 0-2 20: 79 75 73 95 67 93 108 81 80 91 129 55 107 117 94 121 335 77 135 149 0.990 23.12 5.0 98 97 99 97 350 96.4 0.467 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2672 2215.6 3.5 scans 89% 73 m/z 0.16% 0.679% 1633 0.7 673 594519 6.04% 24517519 24517519 217905513 0-0 20: 73 258 143 348 265 69 177 75 81 349 259 305 192 115 138 107 79 117 55 95 0.998 23.26 1.0 100 99 98 100 379 44.2 0.431 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3493 2223.1 4.0 scans 69% 73 m/z (143) 0.15% 0.245% 1641 1.0 393 636745 2.44% 8845165 8845165 88028055 0-0 20: 73 75 69 81 109 105 55 91 67 115 107 79 93 121 119 77 74 137 175 123 0.977 23.34 1.3 93 94 94 96 286 60.1 2.345 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1036 C18:0 23.4272 2230.2 4.5 scans 56% 73 m/z (258) 0.076% 1.22% 1648 1.1 757 1317680 1.36% 44134840 40989357 49064818 0-2 9: 73 171 241 202 54 243 90 256 102 0.953 22.89 48.4 89 98 92 98 356 89.8 1.406 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1006 17-Methyltestosterone 23.9049 2273.8 4.5 scans 95% TIC 0.023% 4.26% 1693 0.4 1435 4268300 4.95% 153989803 148353334 178581505 1-2 0.996 23.88 2.5 100 100 99 100 450 35.1 0.060 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9922 2281.8 2.8 scans 81% 143 m/z 0.12% 0.324% 1702 1.0 541 802954 4.13% 11698433 11698433 148998306 0-0 20: 143 73 168 155 360 75 181 144 270 169 69 265 81 156 205 147 117 195 345 74 0.997 23.97 1.7 94 91 90 100 360 89.7 2.748 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0469 2286.8 3.2 scans 68% 73 m/z 0.31% 0.208% 1707 1.2 392 316353 3.76% 7527147 7365486 135649790 0-1 20: 73 143 293 147 409 265 294 115 424 130 201 144 286 183 410 285 74 230 217 299 0.881 24.04 0.9 96 95 87 100 424 38.8 0.979 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1911 2300.0 3.0 scans 86% 143 m/z 0.086% 0.664% 1721 0.8 667 1167056 23987820 20663298 2-4 19: 143 73 156 155 181 144 168 75 205 265 69 147 81 157 95 360 74 195 109 0.989 24.18 1.2 92 89 93 97 450 21.4 0.103 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1018 myo-Inositol 25.2233 2398.1 2.9 scans 50% 318 m/z 0.47% 0.130% 1819 0.9 288 213597 0.142% 4693105 3676273 5122944 18-0 18: 318 315 299 147 387 319 316 389 217 320 300 388 317 301 432 343 433 305 0.869 25.21 1.3 97 96 79 99 470 22.5 0.613 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2864 2404.3 3.0 scans 72% 182 m/z 0.17% 0.415% 1825 0.9 529 559876 14992046 13136868 9-4 14: 182 143 169 195 75 374 183 196 81 144 375 170 109 269 0.978 25.28 0.6 97 96 97 98 464 10.1 0.036 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1022 Steroid 25.47min 2422 25.4863 2424.1 2.9 scans 80% 143 m/z 0.14% 0.468% 1844 0.8 619 688938 0.479% 16908427 16321119 17280917 1-4 20: 143 73 182 169 195 75 196 374 183 81 144 170 69 95 265 147 55 109 74 269 0.949 25.47 1.9 94 90 87 100 374 92.5 2.237 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4028 2515.5 2.8 scans 34% 495 m/z 0.39% 0.0710% 1931 0.9 242 257774 0.0994% 2562623 2522992 3586061 2-0 8: 495 496 363 273 497 364 377 449 0.886 26.35 5.5 84 84 80 85 495 39.5 2.662 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5638 2532.1 3.0 scans 16% 512 m/z 1.7% 0.0333% 1946 0.9 157 57896 1203657 1109945 3-1 16: 512 455 247 513 456 483 514 349 457 263 497 484 423 515 350 353 0.847 26.57 -1.0 85 84 60 90 512 53.0 11.353 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9394 2570.9 2.6 scans 84% 371 m/z 0.055% 0.702% 1982 0.7 771 1814699 25340266 24941241 1-0 18: 371 372 147 57 129 205 203 239 55 103 71 459 373 116 145 101 117 85 0.998 26.39 56.3 89 96 97 99 459 93.2 1.464 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1008 Sucrose 27.4276 2622.1 2.7 scans 19% 361 m/z (143 449) 0.49% 0.0747% 2028 1.1 242 205033 2697762 2650755 1-0 8: 361 362 437 363 271 438 439 364 0.689 27.59 -17.4 86 93 75 94 437 47.0 3.780 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN LQC1-N1010 Sucrose 27.4287 2622.2 4.6 scans 47% TIC 0.26% 0.187% 2028 1.8 374 380058 0.571% 6763176 6266194 20600008 1-0 0.764 27.58 -16.0 82 79 74 89 437 42.0 1.262 -0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0631 2689.9 2.9 scans 82% 57 m/z 0.090% 0.662% 2089 0.7 707 1111622 23915126 23876985 1-0 19: 57 71 85 333 55 99 69 83 56 113 97 70 334 127 84 141 111 98 423 0.995 28.06 0.1 93 92 96 94 542 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7334 2764.7 2.8 scans 79% 399 m/z 0.097% 0.452% 2152 0.9 609 1032588 16310334 15227244 1-1 18: 399 400 73 147 129 205 203 55 103 401 487 116 145 117 101 83 267 133 0.990 28.19 60.8 87 95 95 100 487 72.1 1.399 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1032 Sterol 29.17min 2814 29.1764 2814.6 3.8 scans 50% 99 m/z 0.26% 0.104% 2194 1.5 254 375000 0.136% 3776029 3526606 4906482 8-1 14: 99 71 100 283 256 269 356 98 185 257 355 72 196 241 0.968 29.17 0.9 90 88 95 98 355 21.2 0.698 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN PREGNE~1-N1029 Pregnenolone STD 29.2690 2825.0 3.0 scans 53% 100 m/z 1.0% 0.132% 2203 1.2 305 99437 4768526 4343764 1-2 13: 100 386 87 402 70 288 415 312 239 387 296 416 403 0.920 29.32 -6.2 84 84 87 85 417 26.2 0.740 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1034 Nonacosane 29.5141 2852.5 3.0 scans 59% 57 m/z 0.35% 0.115% 2227 1.0 301 284482 4181623 4016202 2-0 20: 57 71 85 55 99 56 69 365 83 70 113 127 111 84 141 366 98 393 58 86 0.978 29.50 1.0 91 87 97 100 408 9.2 0.093 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8445 2889.7 2.8 scans 84% 57 m/z 0.089% 0.434% 2258 0.8 589 1130081 15688074 15140148 0-5 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 141 98 58 112 155 72 0.993 29.83 2.0 96 93 99 100 408 35.8 0.369 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1038 Hexacosanol 30.1812 2929.1 2.7 scans 34% 439 m/z 0.87% 0.0298% 2290 1.0 158 114918 0.0357% 1078481 1004558 1287951 1-0 5: 439 440 441 442 423 0.960 30.17 1.0 99 99 91 99 439 85.3 29.149 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4211 2957.6 >4 scans 63% TIC 0.48% 0.134% 2313 0.8 305 207337 0.546% 4846252 4609591 19698081 5-0 0.962 30.36 7.5 83 82 87 86 529 10.3 0.114 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4727 2963.7 2.9 scans 68% 57 m/z 0.13% 0.326% 2318 1.0 477 755919 0.327% 11789236 10273427 11797202 5-12 19: 57 71 85 56 393 55 69 99 83 97 70 113 392 394 111 141 84 58 155 0.972 30.46 1.1 97 95 99 100 393 104.3 4.775 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2197 3052.5 3.0 scans 84% 57 m/z 0.089% 0.497% 2389 0.8 607 1127131 17945217 17452012 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 98 394 58 0.995 31.21 1.0 95 93 99 99 393 87.7 2.093 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1048 Hentriacontane 31.5470 3091.3 3.3 scans 91% 57 m/z 0.036% 1.47% 2420 0.4 973 2774148 53259050 52492678 1-0 20: 57 71 85 99 55 69 83 97 113 56 70 127 141 111 84 98 155 112 125 169 0.999 31.53 1.8 100 99 100 100 436 55.2 0.323 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8226 3124.1 2.8 scans 80% 502 m/z 0.11% 0.336% 2446 0.8 523 906069 12156147 12011111 0-1 15: 502 237 503 73 236 238 504 277 221 223 208 74 239 505 193 0.994 31.79 3.7 96 94 95 100 502 239.4 20.916 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9458 3138.7 3.0 scans 67% 129 m/z 0.64% 0.190% 2458 0.8 391 156795 6856228 6404934 2-0 19: 129 329 368 353 458 95 75 330 107 121 328 105 57 145 81 119 369 159 55 0.992 31.87 9.3 95 93 95 98 458 53.3 1.859 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1215 3159.6 3.1 scans 73% 57 m/z 0.10% 0.426% 2474 0.8 551 947653 15402287 15233004 1-0 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 111 127 84 141 58 155 0.988 32.11 1.4 97 95 99 99 421 120.3 4.765 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3193 3183.1 5.1 scans 48% TIC 0.19% 0.442% 2493 1.4 410 518961 1.06% 15948691 8808045 38241696 6-9 0.863 32.33 -0.8 86 93 96 92 785 6.2 0.023 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1004 Campesterol 32.7875 3238.7 3.4 scans 48% 129 m/z (57) 0.43% 0.322% 2538 0.8 434 233113 0.364% 11636253 10488735 13132054 0-1 19: 129 343 382 472 367 95 75 107 344 121 119 145 383 105 342 81 93 91 159 0.946 32.21 68.6 82 95 83 96 472 65.4 2.266 0.578 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1046 Stigmasterol 32.9916 3262.9 3.5 scans 69% 83 m/z (309) 0.13% 1.20% 2557 0.6 843 769733 43394523 41001217 1-1 20: 83 129 55 255 69 394 484 81 75 133 159 119 145 105 107 95 93 351 97 355 0.987 32.98 1.1 94 96 98 97 665 9.9 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1211 3278.3 3.4 scans 83% 57 m/z 0.050% 1.09% 2569 0.6 833 1982075 39366175 37395669 1-5 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 155 98 112 125 169 0.997 33.10 2.9 88 85 97 92 515 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3483 3305.3 3.1 scans 44% 99 m/z 0.65% 0.148% 2591 0.9 327 152545 5368911 5081070 1-1 11: 99 189 199 437 529 438 173 287 530 439 451 0.937 33.38 -3.6 95 95 93 96 529 53.6 2.688 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN WTF2-N1034 b-Sitosterol 33.4851 3321.5 3.5 scans 72% 129 m/z 0.23% 0.601% 2604 0.7 638 432791 0.946% 21715832 20105677 34128910 7-3 19: 129 357 396 381 486 95 107 75 119 121 81 57 358 145 397 105 356 55 93 0.996 32.88 72.2 84 97 97 98 486 88.7 1.936 0.608 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.5261 3326.4 5.2 scans 26% 99 m/z (129 386) 1.0% 0.104% 2608 0.7 209 95897 0.296% 3786863 3624890 10678813 5-0 4: 99 485 100 450 0.938 33.75 -27.1 80 87 77 88 485 57.7 7.586 -0.228 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.6019 3335.4 3.3 scans 71% 386 m/z 0.41% 0.440% 2615 0.9 555 239493 1.03% 15897188 14720697 37159384 3-5 16: 386 129 296 55 281 69 387 119 257 107 105 121 145 93 159 91 0.980 33.58 2.1 93 91 94 98 505 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7450 3352.4 3.8 scans 22% 218 m/z 0.58% 0.0703% 2629 0.9 206 171207 2538301 2417742 1-3 6: 218 203 190 189 279 498 0.598 34.08 -40.0 81 91 74 92 498 13.9 0.451 -0.337 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2248 3409.4 3.3 scans 69% 99 m/z (509) 0.12% 0.504% 2674 0.9 543 786549 18203783 15799069 8-1 18: 99 217 499 71 361 169 500 362 218 103 109 100 383 363 319 271 257 230 0.993 34.22 0.7 96 96 95 100 499 131.6 5.877 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5815 3451.7 3.7 scans 33% 596 m/z 0.47% 0.113% 2708 1.1 259 211998 4100414 3863094 1-4 16: 596 597 598 331 316 302 599 315 318 303 356 332 317 330 288 300 0.861 34.47 13.0 93 91 74 99 596 115.8 20.003 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 >3 scans 53% TIC 1.1% 0.0126% 27 1.4 126 85155 0.0848% 458192 429084 3071228 1-0 0.984 6.63 -15.0 94 93 71 94 295 39.9 10.004 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1192 Contamination 8.0114 1145.5 2.5 scans 97% 73 m/z 0.052% 0.704% 183 0.7 760 1890284 25532705 24363329 5-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 103 100 149 131 134 236 0.997 7.99 1.3 99 98 97 99 235 152.8 4.041 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1188 Contamination 8.3176 1163.6 3.9 scans 54% 281 m/z 7.0% 0.00753% 212 2.2 65 14205 272848 272848 0-0 6: 281 369 282 370 283 265 0.859 8.41 -5.8 90 89 64 93 369 18.1 7.806 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1186 Phosphate 8.5312 1176.3 2.3 scans 95% 241 m/z 0.12% 0.145% 232 1.1 368 802931 5271784 5020179 1-1 20: 241 242 133 73 211 163 243 256 195 135 98 59 89 119 137 147 257 212 134 121 0.996 8.56 -1.7 100 99 99 100 299 0.0 0.000 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN VEN77_S6-N1002 Glycerol 10.0695 1266.6 7.0 scans 98% TIC 0.012% 4.81% 379 0.2 1277 8035974 174368073 171550930 1-1 1.000 10.09 -1.4 98 97 93 99 299 718.4 31.812 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1174 Proline 10.4315 1287.8 6.7 scans 66% TIC 1.7% 0.0124% 413 1.3 84 57515 0.0893% 451371 451371 3234206 0-0 0.990 10.55 -6.6 86 82 81 93 142 60.8 52.244 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6767 1302.2 3.2 scans 87% 199 m/z 1.3% 0.0638% 436 0.7 205 71735 2313887 2297908 5-0 10: 199 75 117 145 132 129 131 200 67 118 0.991 10.73 -3.4 87 82 70 99 209 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0123 1322.4 2.8 scans 66% 184 m/z 3.2% 0.0128% 468 0.9 102 30433 0.0137% 465322 459512 496177 1-1 16: 184 134 285 174 100 86 77 185 59 227 172 286 186 135 130 110 0.970 11.06 -3.1 95 95 87 96 285 29.8 8.542 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3795 1344.5 4.6 scans 62% 57 m/z 0.58% 0.0750% 503 0.6 194 172188 0.0812% 2719355 2676351 2940845 2-0 19: 57 97 115 145 127 69 56 129 111 59 128 58 72 98 87 146 116 201 95 0.969 11.45 -4.0 97 96 95 98 145 56.2 8.359 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1024 Contamination 10.96min 11.3964 1345.5 2.9 scans 64% 84 m/z 0.37% 0.0605% 505 1.0 211 264145 0.0629% 2192350 1993482 2278069 0-5 17: 84 133 162 161 119 92 118 82 51 65 78 134 63 120 52 104 91 0.962 10.96 26.5 93 93 93 97 161 55.1 6.835 0.440 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6542 1361.1 2.6 scans 75% 147 m/z 2.7% 0.0110% 529 1.1 100 35960 400387 398235 0-2 17: 147 247 101 116 148 102 87 103 149 59 66 131 262 217 248 133 74 0.996 11.79 -7.8 90 89 88 92 262 12.0 1.440 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN TAB_REP6-N1026 Malic acid 13.4566 1472.8 2.7 scans 65% 73 m/z 1.8% 0.0182% 700 0.9 124 54276 661190 645544 2-0 19: 73 147 233 245 190 133 189 148 175 191 335 234 101 55 149 74 98 171 70 0.916 13.53 -4.8 86 86 80 86 335 13.8 1.240 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9532 1504.3 2.8 scans 48% 156 m/z 1.4% 0.0128% 748 1.2 101 67593 465893 465216 0-1 9: 156 157 258 147 230 232 259 148 231 1.000 14.11 -10.4 91 89 87 95 273 0.0 0.000 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2657 1525.0 2.7 scans 55% 263 m/z 0.85% 0.0246% 777 1.0 140 116598 893494 893494 1-0 15: 263 264 278 447 265 239 342 174 279 448 449 207 247 128 191 0.963 14.33 -4.0 83 77 83 96 278 33.5 5.748 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5624 1544.7 4.3 scans 53% TIC 2.1% 0.0348% 806 0.6 143 46270 0.0390% 1263315 1147337 1412475 2-3 0.739 14.69 -8.5 92 92 73 94 409 9.8 0.463 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5645 1544.8 2.6 scans 80% 73 m/z 0.93% 0.0362% 806 1.0 177 107212 1311291 1273517 1-1 20: 73 292 147 220 205 293 217 117 103 221 148 294 74 206 133 319 149 102 291 222 0.999 14.62 -3.8 93 91 91 93 409 11.2 0.402 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1044 Dodecanol 14.7181 1555.0 2.7 scans 59% 243 m/z 2.1% 0.0132% 820 0.9 103 46255 479781 446380 1-2 9: 243 244 103 89 97 245 101 61 111 0.954 14.24 31.6 94 96 90 97 243 54.5 28.249 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1839 1654.6 2.8 scans 51% 290 m/z 1.3% 0.0203% 960 1.6 116 75101 737424 660116 1-3 8: 290 291 292 158 392 131 197 393 0.860 16.28 -6.5 88 84 74 97 392 16.0 1.904 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN TAB_REP6-N1042 Ribose 16.2891 1661.9 >3 scans 26% TIC 15% 0.000825% 970 1.0 49 6372 0.0303% 29869 29869 1097384 0-0 0.879 16.10 12.9 82 84 63 87 307 16.7 11.434 0.186 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 3.0 scans 56% 55 m/z 3.5% 0.00847% 993 1.2 92 28554 0.0277% 307087 307087 1003219 0-0 18: 55 97 83 69 70 56 84 82 111 98 96 54 140 67 124 125 112 95 0.962 16.63 -6.6 83 84 83 84 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1010 Glycerol-P 17.4812 1747.0 3.4 scans 96% 357 m/z 0.029% 2.66% 1083 0.5 1349 3387531 96620091 96598680 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 129 256 133 218 328 0.997 16.97 37.5 96 99 98 99 445 211.9 2.470 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4219 1816.4 4.3 scans 95% 73 m/z 0.032% 2.83% 1172 0.5 1211 3072094 102854855 100155136 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 133 58 90 77 121 117 137 150 0.994 17.91 38.2 96 99 98 99 327 114.7 0.899 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1012 Phytol 18.5576 1826.7 3.4 scans 97% 68 m/z 0.069% 1.48% 1185 0.5 987 1432438 1.63% 53909972 53087348 59034214 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.6 94 98 99 99 278 57.8 0.342 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1016 Hexadecene 18.6186 1831.4 2.9 scans 89% TIC 0.28% 0.193% 1191 1.3 377 353377 4.29% 6995319 6793657 155372256 0-1 0.988 18.10 39.0 85 85 94 97 280 53.6 2.019 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6439 1833.3 2.7 scans 36% 285 m/z (70) 1.8% 0.0259% 1193 1.0 143 53023 938207 936488 1-0 15: 285 117 132 129 286 145 118 131 287 300 201 116 61 241 257 0.943 18.73 -6.4 93 95 82 95 300 14.2 0.989 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1076 Pregnane?? 18.7659 1842.6 2.6 scans 79% 345 m/z 0.84% 0.0469% 1205 1.1 205 118873 1700177 1623176 1-1 20: 345 73 147 255 346 347 191 334 256 205 74 257 148 435 133 419 372 243 239 149 0.987 18.86 -7.1 94 94 88 94 537 12.1 0.348 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1002 Phytol 18.8min 18.8480 1848.9 2.6 scans 91% 81 m/z 0.36% 0.234% 1213 0.9 450 276430 8479507 7936875 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 53 56 110 111 0.996 18.84 0.6 97 96 99 97 278 50.2 1.249 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1072 Fructose 18.9417 1856.0 2.6 scans 83% 73 m/z 0.46% 0.0797% 1222 1.0 260 215887 0.0813% 2888468 2788241 2944467 4-1 20: 73 103 307 217 147 308 218 277 133 104 205 309 74 189 117 364 89 172 148 219 0.998 19.03 -7.0 93 92 92 93 364 24.2 0.867 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0942 1867.7 2.9 scans 95% 81 m/z 0.18% 0.491% 1236 0.8 618 534670 17815948 17729660 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 39.3 93 96 98 99 278 81.6 1.743 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1064 Mannose 19.2626 1880.5 2.7 scans 87% TIC 0.30% 0.123% 1252 1.1 331 323116 0.641% 4479210 4363654 23215295 0-1 0.990 19.45 -14.7 97 96 95 96 319 117.4 12.571 -0.192 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4709 1896.4 2.8 scans 83% 174 m/z 0.12% 0.136% 1272 1.1 335 801127 4928024 4711985 1-2 17: 174 175 86 338 176 100 59 339 179 130 161 340 250 264 87 158 172 0.995 19.49 -1.4 93 92 93 93 338 64.3 3.672 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN BRA4_R~2-N1004 Galactose 19.5098 1899.4 2.8 scans 63% 319 m/z (87) 1.9% 0.0353% 1276 0.8 160 50201 1280816 1241233 1-4 8: 319 205 160 320 217 206 321 233 0.982 19.36 11.3 86 87 67 89 364 0.0 0.000 0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9128 1931.7 2.8 scans 62% 204 m/z (71) 0.62% 0.0536% 1314 1.1 203 160134 1944293 1797709 2-2 11: 204 159 205 217 206 129 218 160 305 203 243 0.993 19.91 0.0 88 88 88 93 361 7.2 0.125 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2748 1960.8 2.7 scans 34% 204 m/z 1.9% 0.0122% 1348 1.1 100 51149 0.0162% 443832 433279 586720 0-3 8: 204 191 205 217 206 192 193 218 0.986 20.41 -11.2 82 81 83 85 217 23.5 5.473 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7830 2001.8 3.1 scans 92% TIC 0.30% 0.351% 1397 1.2 511 330391 0.464% 12744144 12370828 16804831 1-1 0.990 20.27 41.6 82 82 94 97 322 31.2 0.373 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1038 C16:0 21.1544 2033.0 3.7 scans 97% 313 m/z 0.027% 2.87% 1432 0.4 1321 3621658 104048629 103162558 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 201 74 315 269 116 1.000 20.62 44.7 94 99 99 100 328 150.6 1.301 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6647 2075.9 2.8 scans 84% 305 m/z 0.42% 0.152% 1481 0.9 340 235808 5531559 5302341 2-1 19: 305 217 147 318 191 306 319 265 218 204 307 432 133 367 433 320 129 148 192 0.996 21.75 -7.0 98 97 95 97 507 22.4 0.431 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9573 2100.5 2.9 scans 70% 327 m/z 1.2% 0.0557% 1508 1.3 203 80875 0.0698% 2017961 1939732 2527968 1-1 13: 327 117 132 129 145 328 342 329 118 201 283 116 343 0.965 22.33 -32.5 94 96 91 98 342 25.5 1.569 -0.373 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1761 2119.6 >4 scans 61% TIC 1.3% 0.0331% 1529 1.1 157 74280 0.162% 1200848 1136526 5867204 1-0 0.969 22.19 -0.9 90 89 73 92 396 58.5 13.854 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1040 Phytol 22.6233 2158.6 4.4 scans 88% TIC 0.069% 0.363% 1572 1.0 493 1433903 0.838% 13171536 13171536 30350105 0-0 0.999 22.08 47.1 80 82 90 95 181 0.0 0.000 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1904 2208.5 6.5 scans 92% 79 m/z 0.042% 6.23% 1626 0.2 1480 2377739 7.12% 225738638 219915227 257867240 0-2 20: 79 75 73 335 95 93 108 67 91 80 81 107 121 149 94 135 77 122 105 109 0.985 23.12 6.7 98 97 98 97 350 107.0 0.523 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2641 2215.3 4.7 scans 75% TIC 0.46% 0.256% 1633 1.2 410 213881 7.86% 9277702 9277702 284668049 0-0 0.996 23.26 0.7 98 96 96 99 379 25.7 0.393 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3441 2222.6 3.4 scans 45% 148 m/z 0.25% 0.0923% 1640 1.2 269 394752 0.195% 3343321 3178939 7062375 1-0 16: 148 95 149 286 133 161 108 162 147 178 163 122 287 361 150 179 0.752 23.34 0.8 93 97 80 96 286 48.8 3.306 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1036 C18:0 23.4198 2229.5 3.6 scans 70% TIC 0.094% 0.948% 1647 1.1 742 1058563 1.08% 34359885 30852408 39114694 0-6 0.779 22.89 47.7 91 97 93 99 356 89.1 1.441 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1006 17-Methyltestosterone 23.8975 2273.2 3.9 scans 96% 143 m/z (353) 0.023% 3.69% 1693 0.4 1446 4229341 133773784 128986163 2-1 20: 143 73 117 360 345 293 75 144 147 169 407 265 69 81 130 331 257 119 270 333 1.000 23.88 1.9 99 100 100 100 450 35.1 0.059 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9880 2281.4 2.7 scans 81% 143 m/z 0.17% 0.222% 1701 1.0 463 581463 3.23% 8075424 8075424 116981908 0-0 20: 143 73 168 155 360 181 144 75 270 169 69 156 265 81 147 74 205 195 345 361 0.998 23.97 1.3 93 90 89 99 360 75.1 2.627 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0417 2286.3 3.2 scans 45% 143 m/z 0.80% 0.0615% 1706 1.2 217 123879 1.94% 2227582 2227582 70261580 0-0 20: 143 293 147 409 294 265 115 424 286 201 130 144 334 319 292 202 410 217 285 183 0.753 24.04 0.4 95 97 80 97 424 25.3 1.358 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1858 2299.5 3.3 scans 82% TIC 0.12% 0.519% 1720 0.9 561 818357 18818876 16220796 1-2 0.941 24.18 0.7 95 95 94 98 450 17.7 0.100 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1018 myo-Inositol 25.2170 2397.5 2.9 scans 68% 318 m/z 0.33% 0.191% 1818 1.0 373 294894 0.213% 6934104 5899937 7714287 14-0 18: 318 315 299 147 387 319 316 389 320 217 300 388 317 301 343 432 433 305 0.990 25.21 0.7 97 95 96 99 470 25.8 0.479 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2822 2403.9 3.0 scans 84% 182 m/z 0.15% 0.439% 1824 0.9 564 638917 15903484 14794762 8-2 17: 182 143 169 195 75 183 374 196 144 81 375 95 170 184 265 109 269 0.992 25.28 0.2 98 97 97 98 464 13.6 0.058 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1022 Steroid 25.47min 2422 25.4821 2423.7 3.0 scans 84% TIC 0.15% 0.474% 1843 1.0 613 661437 0.475% 17178111 16054015 17203222 2-4 0.958 25.47 1.5 92 87 86 100 374 90.0 2.158 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4028 2515.5 3.0 scans 87% 204 m/z 0.036% 0.883% 1931 0.7 806 2762161 0.919% 31980870 29729213 33283707 2-1 19: 204 73 205 147 495 217 206 117 363 496 130 74 273 103 129 191 231 131 319 0.992 26.35 5.5 95 94 97 94 495 122.4 2.317 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5606 2531.8 2.9 scans 19% 512 m/z 1.8% 0.0397% 1946 1.0 170 54196 1437901 1310950 7-1 16: 512 455 247 513 456 483 514 349 248 457 263 497 423 409 515 353 0.936 26.57 -1.3 86 85 60 91 512 57.2 11.315 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9394 2570.9 2.8 scans 89% 371 m/z 0.038% 1.02% 1982 0.7 923 2602996 37133696 36624527 1-0 20: 371 372 73 147 129 57 205 203 239 71 55 103 373 459 116 75 145 117 313 101 0.999 26.39 56.3 89 97 97 100 459 112.3 1.485 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1008 Sucrose 27.4255 2621.8 2.8 scans 64% 361 m/z 0.11% 0.379% 2028 1.0 570 854602 13748727 12512888 1-2 17: 361 217 362 147 437 363 103 271 218 451 169 438 243 319 439 219 364 0.920 27.59 -17.7 97 95 92 98 437 98.0 2.955 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1014 Sucrose 27.4255 2621.8 2.8 scans 63% 361 m/z (117) 0.11% 0.402% 2028 1.0 563 850457 14581455 13270764 1-2 17: 361 217 362 147 437 363 103 271 218 451 169 438 243 319 439 219 364 0.978 27.49 -6.9 91 90 90 98 437 97.9 3.020 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN LQC1-N1010 Sucrose 27.4266 2621.9 3.3 scans 66% TIC 0.12% 0.427% 2028 1.5 577 812812 0.837% 15474311 13815902 30313888 1-0 0.849 27.58 -16.3 97 96 93 99 437 95.2 2.725 -0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0569 2689.2 3.1 scans 77% 333 m/z (344) 0.16% 0.392% 2088 0.9 530 610489 0.672% 14198065 14004066 24338032 1-0 14: 333 334 423 462 288 198 372 335 293 424 270 463 151 336 0.996 28.06 -0.6 93 94 97 97 542 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7334 2764.7 3.0 scans 88% 399 m/z 0.068% 0.677% 2152 0.7 717 1467105 24523863 24194092 0-1 20: 399 400 73 147 129 57 205 203 103 401 55 487 71 116 145 75 117 101 85 267 0.998 28.19 60.8 88 97 97 100 487 87.9 1.501 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN SQUALENE-N1017 Squalene STD 29.0859 2804.4 4.6 scans 44% TIC 0.52% 0.0641% 2186 1.0 217 191082 0.244% 2322986 2113183 8837023 2-0 0.921 29.09 -0.7 81 83 90 87 410 9.5 0.189 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1034 Nonacosane 29.5120 2852.3 3.0 scans 57% 57 m/z 0.41% 0.0920% 2226 1.0 276 241061 0.0997% 3332632 3193876 3610866 3-4 20: 57 71 85 55 56 99 69 365 83 70 113 127 393 84 111 141 366 364 58 98 0.985 29.50 0.8 93 90 98 99 408 8.6 0.097 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8382 2889.0 3.2 scans 71% 57 m/z 0.18% 0.255% 2257 1.0 409 535148 9264539 7799892 2-13 20: 57 71 85 55 99 69 83 56 113 70 127 84 111 141 98 72 155 58 112 86 0.989 29.83 1.3 96 93 98 100 408 24.1 0.349 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1038 Hexacosanol 30.1802 2929.0 3.0 scans 29% 439 m/z 1.1% 0.0235% 2290 0.9 137 88738 0.0304% 854498 850992 1101006 0-1 4: 439 440 441 442 0.957 30.17 0.9 99 99 91 99 439 75.5 30.447 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4201 2957.5 >5 scans 66% TIC 0.45% 0.153% 2313 0.8 319 219680 0.437% 5567864 4993841 15826964 6-0 0.902 30.36 7.4 85 85 87 87 529 11.5 0.129 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4695 2963.4 3.0 scans 75% 57 m/z 0.16% 0.253% 2317 0.9 427 595452 9180070 8301889 8-4 20: 57 71 85 56 393 55 69 83 99 70 97 392 113 394 127 111 141 84 58 155 0.996 30.46 0.8 99 98 99 100 393 95.2 4.981 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2166 3052.1 3.2 scans 83% 57 m/z 0.10% 0.435% 2388 0.8 558 942751 15758841 15502221 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 421 394 98 155 0.994 31.21 0.6 98 96 99 99 393 82.5 2.189 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1048 Hentriacontane 31.5365 3090.1 3.1 scans 89% 57 m/z (345) 0.045% 1.10% 2419 0.5 869 2203174 40022829 39496171 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 155 98 112 169 125 1.000 31.53 0.6 98 99 100 99 436 49.0 0.317 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8195 3123.7 2.9 scans 72% 502 m/z 0.15% 0.241% 2446 0.8 431 656840 8749065 8413320 1-1 15: 502 237 503 73 236 238 504 277 221 223 74 208 239 193 278 0.978 31.79 3.3 98 96 94 100 502 205.4 22.692 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9468 3138.8 3.2 scans 71% 329 m/z 0.44% 0.307% 2458 0.8 471 222285 11149098 10037116 1-1 15: 329 129 368 353 458 95 330 107 121 105 145 328 369 119 91 0.991 31.87 9.4 96 95 95 98 458 67.1 2.028 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1183 3159.2 3.5 scans 72% TIC 0.10% 0.385% 2474 0.8 555 918365 0.834% 13971806 13329731 30205236 1-1 0.992 32.11 1.0 97 94 98 99 421 119.8 4.667 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3172 3182.8 2.9 scans 27% 57 m/z (204) 0.33% 0.141% 2493 1.1 310 301185 0.500% 5120802 4459532 18108655 11-7 15: 57 71 85 99 97 56 70 113 127 84 141 98 112 58 86 0.957 32.33 -1.1 81 88 95 88 785 3.6 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1004 Campesterol 32.7886 3238.8 3.6 scans 52% 129 m/z (85) 0.30% 0.474% 2538 0.7 529 325124 0.529% 17198752 15715317 19158956 0-1 19: 129 343 382 472 367 95 107 344 75 121 119 145 105 383 342 81 159 93 91 0.951 32.21 68.7 82 95 84 97 472 81.2 2.360 0.579 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1002 Stigmasterol 32.9885 3262.5 5.7 scans 54% TIC 0.12% 1.22% 2557 0.4 757 772915 1.23% 44326069 42672618 44547290 0-1 0.672 32.42 67.6 82 96 69 95 665 93.7 0.000 0.569 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1046 Stigmasterol 32.9916 3262.9 3.7 scans 80% 83 m/z (204) 0.12% 1.49% 2557 0.5 921 816528 54148252 50932680 5-1 17: 83 129 255 55 394 484 81 159 133 75 105 145 119 351 355 97 91 0.888 32.98 1.1 93 93 97 97 665 90.8 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1116 3277.1 3.4 scans 80% TIC 0.071% 0.592% 2568 0.6 686 1390617 2.49% 21455880 21455880 90181100 0-0 0.994 33.10 1.7 91 89 98 92 515 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3483 3305.3 3.4 scans 21% 99 m/z 1.7% 0.0503% 2591 0.9 191 58564 1824707 1675243 1-1 14: 99 189 437 529 438 530 287 439 173 451 450 531 190 452 0.799 33.38 -3.6 92 94 79 94 529 35.9 3.547 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN WTF2-N1034 b-Sitosterol 33.4862 3321.6 3.7 scans 78% 129 m/z 0.19% 0.780% 2604 0.6 713 508295 1.08% 28255445 27801226 39114694 1-3 19: 129 357 396 486 381 95 107 121 119 57 75 81 397 145 358 105 356 55 159 0.997 32.88 72.3 85 97 98 99 486 100.4 1.981 0.609 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6019 3335.4 3.2 scans 74% 386 m/z 0.34% 0.514% 2615 0.8 617 293225 18618562 18032106 1-1 15: 386 296 129 55 281 387 119 257 107 105 93 121 159 145 91 0.992 33.58 2.1 94 91 94 98 505 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2248 3409.4 3.9 scans 45% 99 m/z 0.33% 0.188% 2674 0.9 330 298088 0.211% 6827499 5879768 7641852 7-2 13: 99 499 71 169 361 500 218 362 100 383 451 257 501 0.934 34.22 0.7 97 97 93 99 499 83.2 6.339 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5836 3452.0 3.9 scans 38% 596 m/z 0.51% 0.170% 2708 0.9 309 195112 6189211 5921942 1-2 9: 596 597 598 316 302 599 356 318 300 0.935 34.47 13.3 82 74 52 99 596 111.9 13.093 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN EXBLK5S-N1006 Contamination 6.3722 1048.3 1.9 scans 61% 207 m/z 0.66% 0.0160% 27 1.2 162 156115 871255 871255 0-0 17: 207 295 208 209 296 191 297 279 193 189 210 192 177 247 280 298 263 0.947 6.63 -15.0 97 96 91 97 295 52.2 10.398 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8957 1138.6 3.5 scans 34% 147 m/z 3.8% 0.00244% 172 1.0 65 27393 0.0780% 132849 132849 4240842 0-0 7: 147 73 148 72 66 149 74 0.896 7.79 6.0 87 89 82 91 219 8.0 1.541 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1192 Contamination 8.0536 1148.0 2.7 scans 93% 147 m/z (96) 0.15% 0.202% 187 0.7 434 658731 10982805 9226521 21-1 19: 147 73 133 220 235 59 148 146 72 86 74 160 89 100 103 149 131 134 236 0.999 7.99 3.8 98 98 99 99 235 88.3 4.137 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1188 Contamination 8.3177 1163.6 2.2 scans 65% 281 m/z 2.0% 0.00961% 212 1.2 117 51311 522999 517713 0-3 14: 281 147 369 282 283 370 207 371 265 249 149 284 191 251 0.917 8.41 -5.8 97 96 76 99 369 32.7 7.806 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1186 Phosphate 8.5734 1178.8 2.4 scans 89% TIC 0.30% 0.0423% 236 1.7 226 340162 0.0755% 2300583 2212254 4104918 3-0 0.984 8.56 0.8 100 99 96 99 299 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN VEN77_S6-N1002 Glycerol 10.0896 1267.8 6.4 scans 100% 147 m/z 0.012% 3.20% 380 0.5 1256 8320008 174424427 174277442 1-0 20: 147 205 103 117 218 148 195 206 149 313 204 89 190 116 129 118 203 101 60 175 0.997 10.09 -0.2 98 97 92 99 299 699.4 31.187 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1174 Proline 10.4536 1289.1 5.4 scans 69% TIC 0.80% 0.0225% 415 0.9 124 128815 0.0885% 1223460 1121809 4811725 1-0 0.935 10.55 -5.3 89 87 85 94 142 87.0 49.070 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7051 1303.9 3.1 scans 57% 199 m/z 1.5% 0.0299% 439 0.5 160 67527 1629055 1539435 3-1 11: 199 117 145 132 200 118 61 201 155 119 96 0.689 10.73 -1.7 95 94 90 99 209 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1168 Glyceric acid 10.9766 1320.3 2.7 scans 83% 73 m/z 1.0% 0.0245% 465 0.9 170 99906 0.0263% 1332143 1328576 1429925 0-1 20: 73 147 292 189 133 103 205 293 102 190 148 307 117 294 74 149 191 101 230 217 0.993 11.05 -4.6 93 90 91 98 292 48.2 8.074 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0376 1323.9 3.7 scans 47% TIC 5.3% 0.00575% 471 1.0 77 19429 0.0255% 312638 211184 1386429 0-4 0.885 11.06 -1.6 89 89 75 91 285 22.6 8.592 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4027 1345.9 5.5 scans 71% 57 m/z 0.70% 0.0496% 505 0.5 170 148292 0.0516% 2701612 2455486 2805480 3-3 14: 57 97 115 145 127 129 69 56 111 128 58 146 114 201 0.990 11.45 -2.6 98 97 94 97 145 50.8 8.900 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4248 1347.2 2.9 scans 59% 84 m/z 0.42% 0.0390% 507 1.2 196 246453 0.0410% 2122377 1844692 2229161 1-5 19: 84 133 162 161 119 92 51 118 82 65 130 134 78 63 52 120 104 163 106 0.996 10.96 28.2 92 93 93 97 161 51.3 6.876 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6794 1362.6 2.7 scans 60% 147 m/z 3.9% 0.00605% 532 0.9 82 26183 0.00808% 328951 293350 439308 2-3 13: 147 247 101 102 116 103 148 87 59 66 217 262 233 0.968 11.79 -6.3 86 84 82 90 262 9.6 1.386 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN TAB_REP6-N1026 Malic acid 13.4745 1473.9 2.5 scans 88% 73 m/z 0.39% 0.0520% 702 1.2 258 266032 2832537 2698682 1-1 20: 73 147 233 245 133 189 190 148 75 74 191 175 177 335 101 149 234 55 265 246 0.998 13.53 -3.7 97 97 95 97 335 30.5 1.395 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9722 1505.5 2.9 scans 75% 156 m/z 0.41% 0.0354% 749 1.1 187 249880 1930044 1803877 4-2 17: 156 73 157 147 230 258 158 74 148 259 231 59 66 133 86 58 100 0.893 14.11 -9.2 95 93 92 98 273 5.6 0.089 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1134 GABA 14.1342 1516.3 2.7 scans 63% 304 m/z 1.3% 0.0213% 765 1.1 156 74613 1163326 1127907 1-1 8: 304 175 176 305 86 153 148 246 0.882 14.24 -7.1 82 81 57 88 304 32.3 4.285 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2836 1526.2 2.7 scans 57% 263 m/z 0.76% 0.0183% 779 1.0 146 137026 999634 950226 1-1 16: 263 264 278 447 239 265 448 279 449 175 247 343 207 240 179 191 0.971 14.33 -2.8 81 74 80 96 278 34.9 5.722 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5772 1545.6 3.0 scans 82% TIC 0.34% 0.0857% 807 0.7 289 300132 4663518 4038792 2-6 0.968 14.69 -7.6 98 97 96 97 409 19.0 0.432 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5782 1545.7 2.6 scans 86% 73 m/z (71) 0.34% 0.0727% 807 1.1 294 300928 3953110 3764061 1-1 19: 73 292 147 220 205 293 217 117 103 294 148 221 74 133 319 206 102 149 291 0.989 14.62 -2.9 97 98 97 98 409 19.2 0.425 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1044 Dodecanol 14.7350 1556.1 2.8 scans 57% 243 m/z 1.5% 0.0112% 822 1.0 113 66100 0.0113% 609081 593484 614378 1-0 9: 243 244 103 89 97 245 101 61 115 0.914 14.24 32.7 93 96 88 97 243 62.3 30.188 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1986 1655.7 2.8 scans 27% 290 m/z 1.1% 0.0112% 961 1.8 104 89136 614047 602481 0-1 4: 290 291 292 392 0.700 16.28 -5.4 87 86 56 96 392 15.9 2.338 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN TAB_REP6-N1042 Ribose 16.3007 1662.8 2.9 scans 42% 103 m/z 5.2% 0.00550% 971 1.1 80 19731 0.00811% 299182 293922 440939 0-1 12: 103 307 217 189 308 160 277 218 104 309 205 89 0.912 16.10 13.8 87 86 78 90 307 25.0 9.764 0.198 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5480 1679.9 2.9 scans 67% TIC 1.8% 0.0112% 994 1.5 133 57703 0.0519% 610620 610620 2821791 0-0 0.993 16.63 -5.5 87 85 89 88 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1010 Glycerol-P 17.4897 1747.6 4.3 scans 95% 85 m/z 0.032% 1.83% 1084 0.6 1253 3169645 3.31% 99889672 99510891 179963945 0-1 20: 85 55 71 121 57 153 83 70 161 125 112 97 107 139 84 56 53 304 106 143 1.000 16.97 38.1 96 99 99 99 445 194.7 2.415 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN TAB_REP6-N1048 Citric acid 18.2493 1803.2 2.7 scans 37% 273 m/z 2.8% 0.0100% 1156 1.0 107 36193 0.0106% 548815 508722 576320 1-1 15: 273 363 274 347 375 465 275 348 211 376 364 257 183 221 231 0.911 18.24 0.4 89 89 80 94 465 15.4 2.080 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4356 1817.4 4.1 scans 89% 73 m/z 0.032% 1.78% 1174 0.5 1157 3234989 97293009 96652919 0-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 66 133 90 77 213 121 0.939 17.91 39.2 94 99 93 98 327 113.0 0.955 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1012 Phytol 18.5734 1828.0 3.1 scans 97% 68 m/z 0.069% 1.01% 1187 0.5 968 1495507 1.10% 54978179 51328353 59806749 12-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 39.9 94 98 99 99 278 56.3 0.338 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1016 Hexadecene 18.6334 1832.5 3.2 scans 85% TIC 0.36% 0.116% 1192 1.6 333 287269 2.71% 6313049 6313049 147342082 0-0 0.995 18.10 40.1 84 84 93 97 280 47.3 2.019 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6608 1834.6 2.8 scans 49% 285 m/z (70) 1.4% 0.0225% 1195 1.2 157 70065 1227667 1168825 1-1 15: 285 117 132 129 286 145 118 131 287 300 201 241 116 61 257 0.947 18.73 -5.1 94 96 83 96 300 15.5 0.975 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1076 Pregnane?? 18.7818 1843.8 2.8 scans 88% 345 m/z 0.24% 0.133% 1207 1.1 376 430042 7282542 7053033 1-1 19: 345 73 147 255 346 347 191 334 256 74 435 133 257 148 419 372 217 205 149 0.995 18.86 -5.9 99 98 96 98 537 23.2 0.380 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1002 Phytol 18.8min 18.8649 1850.2 2.8 scans 88% 81 m/z 0.43% 0.151% 1214 1.1 399 239336 8214785 7874425 1-3 20: 81 82 68 95 57 123 55 69 83 67 79 71 96 97 124 109 278 56 53 111 0.977 18.84 1.9 97 97 98 98 278 45.9 1.325 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1072 Fructose 18.9585 1857.3 2.7 scans 92% 73 m/z 0.12% 0.233% 1223 1.0 504 841592 12688422 12319966 4-1 20: 73 103 217 307 147 308 133 218 277 74 309 117 205 104 189 364 89 219 148 75 0.997 19.03 -5.7 98 97 97 97 364 46.3 0.844 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1070 Fructose 19.0774 1866.4 2.8 scans 73% 73 m/z (81) 0.16% 0.179% 1235 1.0 438 623281 9755599 9667758 0-4 20: 73 103 217 307 147 308 277 218 309 74 205 104 133 117 364 89 262 189 219 148 0.994 19.19 -8.9 94 95 96 96 554 19.6 0.200 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1111 1869.0 2.8 scans 91% 81 m/z 0.20% 0.309% 1238 0.7 580 517564 16831085 16058914 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 40.6 92 95 98 99 278 76.1 1.719 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1064 Mannose 19.2805 1881.9 2.9 scans 91% 73 m/z 0.10% 0.293% 1254 1.0 566 950925 15964257 14750685 6-1 20: 73 319 205 147 160 320 217 103 206 321 117 74 133 229 148 129 207 189 157 161 0.996 19.45 -13.3 99 98 98 99 319 201.8 12.688 -0.175 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1068 Galactopyranose 19.3552 1887.6 2.9 scans 50% 204 m/z 1.8% 0.0144% 1261 1.3 131 55145 0.0789% 787437 781686 4289775 0-1 11: 204 191 192 206 218 193 305 228 361 243 303 0.949 19.32 3.1 81 79 73 85 435 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4878 1897.7 2.9 scans 73% 174 m/z (319) 0.24% 0.0584% 1274 1.3 241 432647 3178621 3149050 0-6 12: 174 175 338 86 176 100 339 340 250 264 172 180 0.960 19.49 -0.1 90 91 90 93 338 45.2 3.505 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN TAB_REP6-N1059 Glucose 19.5257 1900.6 2.9 scans 62% 319 m/z 0.78% 0.0554% 1277 1.0 240 132586 3014004 2809557 3-3 11: 319 205 147 160 320 103 217 321 206 229 148 0.988 19.55 -2.1 93 92 84 92 376 8.2 0.118 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1062 Glucose 19.5257 1900.6 2.9 scans 61% 319 m/z (187) 0.79% 0.0574% 1277 1.0 238 130744 3126139 2914085 3-3 11: 319 205 147 160 320 103 217 321 206 229 148 0.996 19.66 -10.5 90 91 84 92 319 83.4 12.298 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9360 1933.6 3.7 scans 65% 73 m/z (190) 0.38% 0.101% 1316 1.2 277 270352 0.172% 5518956 4938919 9351601 0-2 20: 73 143 147 177 192 103 144 115 149 148 59 131 178 101 207 171 233 116 104 169 0.971 19.91 1.9 87 86 86 94 361 11.9 0.184 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2885 1961.9 >4 scans 41% TIC 1.0% 0.00882% 1350 0.8 137 97180 0.146% 479520 479520 7937987 0-0 0.867 20.41 -10.1 91 90 87 91 217 31.4 5.250 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1038 C16:0 21.1734 2034.6 3.7 scans 97% 313 m/z 0.026% 2.05% 1434 0.5 1316 3927691 111808098 110372530 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 201 74 315 116 269 1.000 20.62 46.3 94 99 99 100 328 150.8 1.313 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6879 2077.8 2.9 scans 92% 73 m/z 0.088% 0.506% 1483 0.9 728 1174997 27546311 26158380 2-1 20: 73 217 305 147 318 191 306 319 265 204 218 307 133 129 432 320 148 433 367 74 0.999 21.75 -5.1 100 99 98 99 507 46.7 0.411 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9825 2102.7 3.3 scans 58% 327 m/z 1.1% 0.0446% 1511 1.4 202 91104 0.0568% 2427717 2341292 3088203 1-1 11: 327 117 132 129 145 328 342 329 201 283 299 0.947 22.33 -30.3 94 96 91 98 342 25.7 1.624 -0.347 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2025 2121.9 3.6 scans 21% 396 m/z 1.7% 0.0166% 1532 1.6 114 60302 906640 857761 1-4 10: 396 219 397 381 398 220 382 249 383 399 0.818 22.19 1.4 87 90 53 89 396 59.5 27.100 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2052 2209.9 5.8 scans 98% 129 m/z 0.039% 4.16% 1627 0.3 1486 2664222 7.96% 226341847 226341847 432783385 0-0 20: 129 117 145 69 96 82 83 97 132 54 130 185 137 98 84 118 57 199 146 110 0.986 23.12 8.1 98 97 98 97 350 105.4 0.503 0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2904 2217.7 4.5 scans 71% 258 m/z (339) 0.24% 0.460% 1635 1.7 560 417446 3.72% 25017172 25017172 202255552 0-0 15: 258 73 348 143 265 69 349 259 305 107 115 120 70 293 137 0.999 23.26 3.1 97 97 98 99 379 38.6 0.474 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3714 2225.1 >2 scans 46% 73 m/z 0.15% 0.0437% 1643 0.8 362 656615 1.40% 2377986 2377986 76117681 0-0 20: 73 69 75 105 109 191 55 91 81 67 115 179 107 119 175 79 74 77 137 177 0.980 23.34 3.3 90 88 87 97 286 61.1 2.851 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1036 C18:0 23.4482 2232.1 5.5 scans 65% 69 m/z (258) 0.067% 1.17% 1650 1.5 833 1548977 1.23% 63743009 63634742 66874820 0-1 17: 69 119 147 89 59 54 112 173 243 174 188 203 186 90 223 102 63 0.968 22.89 50.3 89 98 94 99 356 101.7 1.490 0.559 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1006 17-Methyltestosterone 23.9281 2276.0 4.7 scans 93% 143 m/z (353) 0.021% 3.50% 1696 0.4 1507 4918884 4.06% 190760591 176000808 220741274 2-2 20: 143 73 117 345 360 293 75 144 147 169 265 407 69 130 81 270 257 74 119 95 1.000 23.88 4.7 99 99 100 100 450 36.2 0.058 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1008 Steroid 23.97min 2280 24.0154 2283.9 2.8 scans 77% 143 m/z 0.097% 0.252% 1704 0.9 598 1074618 3.10% 13740925 13740925 168546293 0-0 20: 143 73 168 155 360 181 75 144 270 169 69 156 265 81 205 147 195 117 74 95 0.991 23.97 3.8 94 91 91 99 360 102.5 2.940 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0690 2288.9 3.2 scans 60% 73 m/z 0.27% 0.141% 1709 1.6 401 376679 2.82% 7716571 7710150 153322757 0-1 20: 73 143 293 147 409 294 265 115 424 201 130 286 144 183 217 285 410 319 334 74 0.780 24.04 3.0 96 96 90 100 424 42.3 1.109 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.2122 2302.0 3.2 scans 84% TIC 0.068% 0.625% 1723 0.6 733 1525961 34019092 28347125 1-3 0.969 24.18 3.2 93 91 94 97 450 24.6 0.112 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1018 myo-Inositol 25.2370 2399.4 3.0 scans 47% 318 m/z 0.43% 0.109% 1820 1.1 319 241800 0.120% 5961870 5004179 6524373 14-7 17: 318 315 299 387 319 316 389 320 300 388 317 301 432 433 343 246 305 0.955 25.21 2.6 96 95 93 99 470 22.6 0.501 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.3054 2406.2 3.2 scans 71% 182 m/z (436) 0.13% 0.410% 1827 1.0 589 769963 22295667 20062393 8-2 16: 182 143 169 195 75 374 183 196 144 375 170 109 74 184 269 137 0.992 25.28 2.5 96 97 97 98 464 13.1 0.049 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1022 Steroid 25.47min 2422 25.5064 2426.1 3.3 scans 79% TIC 0.11% 0.450% 1846 1.1 691 918497 0.529% 24479401 22360129 28761609 0-4 0.964 25.47 3.9 92 87 86 99 374 105.3 2.326 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4165 2516.9 2.8 scans 30% 495 m/z (149) 0.22% 0.0921% 1932 1.1 309 454966 5012642 4699448 6-1 6: 495 496 363 273 497 498 0.949 26.35 6.9 84 86 87 88 495 46.0 2.220 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5827 2534.1 3.1 scans 10% 512 m/z 2.0% 0.0250% 1948 1.1 156 50768 1364602 1297225 2-1 16: 512 455 513 247 456 514 483 457 349 497 484 515 423 498 424 350 0.720 26.57 1.0 82 82 39 89 512 54.6 12.249 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9594 2573.0 3.3 scans 78% 371 m/z 0.037% 0.840% 1984 0.8 907 2788924 45672924 44616365 1-2 18: 371 372 147 57 129 205 203 239 71 459 373 55 103 116 145 101 85 117 0.999 26.39 58.4 89 97 97 99 459 112.1 1.528 0.565 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1008 Sucrose 27.4508 2624.5 3.1 scans 73% 361 m/z 0.036% 0.937% 2030 0.9 970 2854974 1.16% 50987218 47445413 63068935 1-8 19: 361 73 217 362 437 363 147 271 103 451 218 169 438 243 319 439 191 74 364 0.962 27.59 -15.0 98 97 95 99 437 173.3 3.199 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1014 Sucrose 27.4508 2624.5 3.1 scans 71% 361 m/z (143) 0.035% 1.00% 2030 0.9 959 2912050 1.25% 54809916 51002570 67962215 1-8 19: 361 73 217 362 437 363 147 271 103 451 218 169 438 243 319 439 191 74 364 0.989 27.49 -4.2 95 95 94 99 437 174.5 3.320 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN LQC1-N1010 Sucrose 27.4508 2624.5 3.1 scans 75% 361 m/z (449) 0.035% 1.06% 2030 0.9 984 2908696 1.32% 57672834 53666616 71768099 1-8 19: 361 73 217 362 437 363 147 271 103 451 218 169 438 243 319 439 191 74 364 0.996 27.58 -13.7 96 96 96 99 437 174.5 3.153 -0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0790 2691.6 3.4 scans 69% TIC 0.086% 0.447% 2090 0.8 725 1206237 0.723% 24305142 23476001 39309345 0-1 0.990 28.06 1.8 93 92 96 95 542 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7534 2767.0 3.2 scans 81% 399 m/z 0.058% 0.599% 2154 0.8 760 1772636 32609282 30694581 0-2 18: 399 400 147 129 57 205 203 401 487 103 55 71 116 145 85 267 117 101 0.997 28.19 63.1 86 95 96 100 487 92.6 1.488 0.560 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1032 Sterol 29.17min 2814 29.1996 2817.2 4.2 scans 42% 99 m/z 0.22% 0.0814% 2197 1.3 258 458249 0.124% 4429365 4292802 6741852 5-0 12: 99 71 100 283 98 256 185 257 241 357 297 140 0.948 29.17 3.5 90 89 90 96 355 23.1 0.804 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1034 Nonacosane 29.5331 2854.7 3.6 scans 52% 57 m/z 0.34% 0.0970% 2228 1.3 303 302232 0.100% 5276932 5009348 5436977 2-2 19: 57 71 85 99 55 56 365 83 113 70 127 111 84 141 393 366 98 155 58 0.981 29.50 3.2 91 88 98 100 408 10.5 0.119 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8635 2891.8 3.4 scans 78% 57 m/z 0.093% 0.356% 2260 0.9 573 1121817 19376499 17561385 1-5 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 155 112 58 72 0.993 29.83 4.1 96 93 99 100 408 35.8 0.391 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1038 Hexacosanol 30.2023 2931.6 3.5 scans 24% 439 m/z 0.90% 0.0240% 2292 1.3 147 115784 0.0316% 1305288 1305288 1718085 0-0 4: 439 440 441 423 0.953 30.17 3.5 98 98 86 99 439 82.5 31.418 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4443 2960.4 >5 scans 68% TIC 0.36% 0.140% 2315 0.7 357 286021 0.333% 7646514 7207684 18105134 2-0 0.927 30.36 10.3 85 84 86 89 529 12.5 0.122 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4927 2966.1 3.5 scans 70% 57 m/z 0.14% 0.249% 2320 0.9 458 718685 13573920 11801800 8-2 20: 57 71 85 56 393 55 69 99 83 70 97 392 113 394 127 111 84 141 58 155 0.993 30.46 3.5 97 95 99 100 393 104.9 5.258 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2408 3055.0 3.9 scans 79% 57 m/z 0.093% 0.412% 2391 0.8 588 1114942 0.429% 22444157 21640776 23324632 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 421 155 98 394 0.996 31.21 3.5 96 93 99 99 393 88.6 2.266 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1048 Hentriacontane 31.5670 3093.7 3.6 scans 89% 57 m/z 0.033% 1.24% 2422 0.4 1016 3135522 67961065 66529076 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 155 98 112 169 125 0.999 31.53 4.2 100 99 100 100 436 59.9 0.349 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7038 3110.0 7.5 scans 12% 204 m/z 1.6% 0.00760% 2435 1.2 107 63203 0.0580% 413267 381714 3153447 0-4 8: 204 597 598 205 217 338 337 103 0.816 31.68 3.4 86 89 76 89 597 14.5 1.849 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8437 3126.6 3.1 scans 72% 502 m/z 0.10% 0.241% 2448 1.0 495 948683 13129240 12723179 1-0 14: 502 237 503 73 236 238 504 277 221 208 223 239 505 222 0.966 31.79 6.2 100 99 97 100 502 236.2 22.758 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9679 3141.3 4.0 scans 56% 329 m/z 0.73% 0.155% 2460 1.3 354 142577 8442714 8219727 1-1 14: 329 129 368 458 353 107 328 121 105 119 145 369 459 159 0.955 31.87 11.9 95 94 91 97 458 51.0 2.077 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1394 3161.7 3.3 scans 68% 57 m/z 0.092% 0.355% 2476 0.8 588 1122785 0.382% 19326559 18420551 20769253 3-0 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 127 111 84 141 58 155 0.989 32.11 3.5 97 95 98 99 421 134.2 5.214 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3393 3185.4 3.2 scans 35% 57 m/z 0.18% 0.194% 2495 1.0 415 566062 0.205% 10561684 8758105 11145803 5-17 16: 57 71 85 99 83 97 56 70 113 127 84 141 98 112 58 126 0.984 32.33 1.5 82 82 96 85 785 5.2 0.016 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1004 Campesterol 32.8076 3241.0 4.0 scans 36% 343 m/z 0.45% 0.220% 2540 0.8 417 230987 0.247% 12007556 11360565 13429334 0-1 15: 343 129 382 472 367 344 121 119 105 145 107 383 342 473 159 0.968 32.21 70.9 81 93 80 94 472 66.5 2.546 0.598 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1046 Stigmasterol 33.0033 3264.3 4.0 scans 89% 73 m/z (309) 0.10% 1.25% 2558 0.8 961 965772 68091387 64370679 2-1 19: 73 295 74 296 281 342 441 219 298 223 325 275 247 397 193 653 313 251 326 0.987 32.98 2.5 94 95 97 97 665 11.5 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1411 3280.7 3.5 scans 83% 57 m/z 0.043% 0.909% 2571 0.5 892 2377489 49428938 45482342 1-5 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 125 169 0.998 33.10 5.3 89 86 97 92 515 0.0 0.000 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3673 3307.5 3.6 scans 45% 99 m/z (471) 0.63% 0.150% 2593 1.0 339 163054 8197254 7604700 3-1 16: 99 189 361 437 199 71 529 438 530 287 362 173 439 451 200 271 0.966 33.38 -1.4 94 95 93 97 529 55.9 2.720 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN WTF2-N1034 b-Sitosterol 33.5083 3324.3 4.3 scans 70% TIC 0.22% 0.440% 2606 1.1 632 456507 1.18% 23955025 23954854 64156331 1-0 0.979 32.88 75.0 83 96 95 98 486 90.6 2.053 0.631 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.5472 3328.9 5.7 scans 22% 99 m/z (129 386) 0.97% 0.0933% 2610 0.7 221 106498 0.255% 5075266 4793365 13864292 5-0 3: 99 485 169 0.913 33.75 -24.6 83 88 77 89 485 60.3 7.421 -0.207 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6251 3338.1 3.7 scans 63% 386 m/z 0.43% 0.324% 2617 0.9 527 238508 0.484% 17618122 16991559 26314970 3-2 9: 386 296 281 387 119 257 107 105 159 0.968 33.58 4.8 93 92 94 98 505 0.0 0.000 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7703 3355.4 4.5 scans 15% 218 m/z (204) 0.56% 0.0617% 2631 1.0 198 185345 3355360 3140258 1-10 4: 218 203 190 189 0.883 34.08 -37.0 81 91 73 90 498 14.1 0.503 -0.312 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2480 3412.1 3.9 scans 70% 99 m/z 0.12% 0.373% 2676 0.9 546 821042 20317428 19405994 3-1 17: 99 217 499 71 169 361 500 218 362 109 100 383 363 257 219 319 230 0.993 34.22 3.4 97 95 95 100 499 133.5 5.972 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6089 3455.0 4.2 scans 31% 596 m/z 0.45% 0.0947% 2711 0.9 265 229749 5153841 4818574 1-1 12: 596 597 598 331 316 302 315 318 356 300 330 304 0.877 34.47 16.3 92 88 72 99 596 116.2 19.300 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN EXBLK5S-N1006 Contamination 6.3709 1048.2 1.9 scans 72% 207 m/z 0.61% 0.0236% 27 1.1 171 166108 0.0287% 894659 894659 1087550 0-0 18: 207 73 295 208 209 296 191 297 279 193 189 192 210 177 247 298 119 265 0.970 6.63 -15.1 98 97 94 98 295 54.9 10.343 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9240 1140.3 >5 scans 32% 147 m/z (89) 6.1% 0.00519% 175 2.2 57 16549 0.193% 196722 196722 7313491 0-0 5: 147 73 131 148 66 0.938 7.79 7.7 80 83 77 87 219 5.6 0.982 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1192 Contamination 8.0839 1149.8 2.5 scans 95% 147 m/z 0.13% 0.304% 190 0.6 476 757086 11554357 10336091 22-0 19: 147 73 133 220 235 148 146 59 72 86 160 74 100 89 103 149 131 134 236 0.999 7.99 5.6 97 96 97 97 235 97.0 4.162 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1188 Contamination 8.3164 1163.6 3.1 scans 68% TIC 2.3% 0.0162% 212 1.7 110 43441 0.0259% 617631 466489 981448 0-8 0.920 8.41 -5.8 97 96 77 98 369 31.9 8.458 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1186 Phosphate 8.5974 1180.2 2.3 scans 94% 241 m/z 0.16% 0.105% 239 1.1 311 609347 3982486 3852881 1-1 20: 241 242 133 211 163 73 256 243 195 135 98 59 89 119 137 134 257 121 212 164 0.999 8.56 2.2 100 99 99 100 299 0.0 0.000 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1180 Benzoic acid 9.7411 1247.4 3.3 scans 32% 179 m/z 9.7% 0.00388% 347 0.6 45 10482 0.00437% 147222 126397 165596 1-1 5: 179 105 135 180 136 0.815 9.76 -1.1 93 95 86 95 194 8.9 3.941 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN VEN77_S6-N1002 Glycerol 10.0978 1268.3 5.7 scans 100% 147 m/z 0.012% 4.32% 381 0.3 1291 8428883 163965552 163753742 1-0 20: 147 302 205 117 134 285 148 218 206 317 167 136 132 204 118 101 175 203 223 318 0.997 10.09 0.3 98 97 93 99 299 719.5 31.225 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1174 Proline 10.4503 1288.9 5.2 scans 34% 142 m/z (180) 4.3% 0.00474% 415 1.0 48 23318 0.00754% 179631 179631 285719 0-0 2: 142 143 0.817 10.55 -5.5 83 89 77 90 142 37.8 61.989 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7154 1304.5 3.1 scans 66% 199 m/z 1.4% 0.0436% 440 0.5 164 68718 1653464 1460487 7-1 15: 199 75 117 145 200 132 129 131 118 76 61 74 201 155 119 0.828 10.73 -1.1 95 93 91 99 209 6.0 0.134 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0458 1324.4 3.2 scans 62% TIC 4.1% 0.00967% 471 1.1 87 24848 0.0267% 366789 344753 1011763 0-1 0.914 11.06 -1.1 94 94 86 95 285 27.3 9.769 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4131 1346.5 7.4 scans 82% TIC 0.75% 0.0858% 506 0.6 173 134877 0.122% 3253946 3040434 4623036 2-0 0.994 11.45 -2.0 98 97 96 99 145 49.5 8.193 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4362 1347.9 3.0 scans 39% 84 m/z 1.3% 0.0158% 508 1.4 107 74369 0.0182% 599258 577550 689666 2-0 16: 84 133 162 161 92 119 51 118 134 78 63 163 120 104 64 52 0.980 10.96 28.9 88 89 87 93 161 28.9 7.239 0.480 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN TAB_REP6-N1026 Malic acid 13.4754 1474.0 2.6 scans 83% TIC 0.68% 0.0461% 702 0.9 197 147996 0.0671% 1747341 1573005 2542670 1-2 0.952 13.53 -3.6 95 94 91 95 335 22.3 1.284 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9741 1505.6 2.9 scans 51% 156 m/z 1.1% 0.0169% 750 1.1 114 89446 643602 641788 0-1 9: 156 157 258 147 230 158 148 74 133 0.812 14.11 -9.1 93 92 89 96 273 0.0 0.000 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5760 1545.6 3.0 scans 76% TIC 0.67% 0.0651% 807 0.6 210 150797 2467651 2214119 2-4 0.945 14.69 -7.6 96 95 93 96 409 14.0 0.446 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5781 1545.7 2.5 scans 81% 73 m/z 0.65% 0.0517% 807 1.1 216 156849 1959702 1778569 5-1 20: 73 292 147 205 220 293 217 117 103 221 294 148 74 133 206 319 149 102 130 291 0.996 14.62 -2.9 97 96 94 97 409 14.6 0.458 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1044 Dodecanol 14.7348 1556.1 2.8 scans 73% 243 m/z 1.1% 0.0220% 822 0.9 136 90440 834762 766457 1-2 15: 243 75 244 103 89 97 83 245 101 61 111 76 115 59 98 0.977 14.24 32.7 94 96 93 98 243 74.5 29.855 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1985 1655.7 2.8 scans 37% 290 m/z 1.1% 0.0152% 961 1.8 103 92426 577785 561555 0-3 7: 290 291 292 158 392 100 393 0.679 16.28 -5.4 89 88 56 96 392 16.7 2.616 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5488 1680.0 2.9 scans 74% 55 m/z 0.84% 0.0538% 994 1.2 186 120173 0.0673% 2039448 1713352 2550248 8-2 18: 55 69 97 83 56 70 111 84 82 98 127 68 113 140 67 112 96 54 0.909 16.63 -5.4 94 95 86 94 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1010 Glycerol-P 17.4905 1747.7 2.8 scans 98% 299 m/z 0.030% 2.14% 1084 0.6 1300 3329066 81169987 81169987 0-0 20: 299 357 73 147 315 358 300 445 370 211 103 101 301 359 129 256 133 387 218 131 1.000 16.97 38.2 96 99 99 99 445 204.0 2.463 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5600 1752.8 2.6 scans 51% 217 m/z 1.5% 0.0190% 1090 1.2 124 66761 0.126% 720523 665620 4774611 0-1 8: 217 218 450 219 305 191 232 451 0.982 17.63 -5.2 83 83 74 84 450 18.2 2.168 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN TAB_REP6-N1048 Citric acid 18.2481 1803.1 2.6 scans 20% 273 m/z 5.8% 0.00419% 1156 0.9 60 17494 158964 158964 1-0 9: 273 347 363 375 274 465 275 211 364 0.646 18.24 0.3 82 87 45 88 465 11.2 3.449 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4375 1817.6 4.2 scans 95% TIC 0.028% 3.04% 1174 0.5 1278 3573673 115305028 109420002 1-2 0.982 17.91 39.4 95 99 98 99 327 122.1 0.913 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1012 Phytol 18.5743 1828.0 3.0 scans 97% 68 m/z 0.062% 1.51% 1187 0.5 1039 1635362 1.77% 57327856 55932100 67071912 5-0 20: 68 95 82 69 123 57 55 81 83 67 97 71 96 109 124 111 79 56 70 137 1.000 18.04 39.9 94 98 99 99 278 61.5 0.350 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1016 Hexadecene 18.6353 1832.7 3.1 scans 88% TIC 0.29% 0.191% 1193 1.3 370 343407 4.46% 7242907 6727342 169006060 0-1 0.998 18.10 40.3 84 85 93 97 280 54.2 2.152 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6585 1834.4 2.7 scans 52% 285 m/z (204) 1.4% 0.0313% 1195 1.0 160 70308 1187001 1102128 1-1 17: 285 117 75 132 129 286 145 118 287 131 300 116 201 130 61 241 257 0.991 18.73 -5.3 93 95 82 95 300 14.1 0.780 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1076 Pregnane?? 18.7763 1843.4 2.7 scans 84% 345 m/z 0.60% 0.0795% 1206 1.1 249 168057 0.129% 3015022 2616363 4888292 1-11 20: 345 73 147 255 346 347 334 256 74 148 133 435 372 419 257 239 348 215 149 243 0.995 18.86 -6.3 96 95 89 95 537 15.3 0.378 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1002 Phytol 18.8min 18.8626 1850.0 2.6 scans 93% 81 m/z 0.35% 0.234% 1214 1.1 444 285778 8886390 8845964 0-2 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 278 111 110 0.985 18.84 1.7 98 98 98 99 278 50.9 1.315 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1072 Fructose 18.9520 1856.8 2.6 scans 86% 73 m/z 0.34% 0.109% 1223 0.9 303 300193 4158755 3922643 7-1 20: 73 103 307 217 147 308 218 277 133 205 189 309 364 74 104 117 219 89 172 148 0.994 19.03 -6.2 96 95 95 95 364 28.9 0.912 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1070 Fructose 19.0699 1865.8 2.8 scans 71% 73 m/z 0.45% 0.0820% 1234 1.2 257 226421 3108033 2830603 1-4 20: 73 103 307 217 147 308 218 277 309 205 74 104 364 262 89 133 219 117 189 148 0.981 19.19 -9.5 90 91 90 91 554 11.3 0.193 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1109 1868.9 2.8 scans 95% 81 m/z 0.17% 0.496% 1238 0.8 630 581519 18827121 18404647 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 40.5 93 96 98 99 278 84.3 1.792 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1064 Mannose 19.2719 1881.2 2.8 scans 87% 73 m/z 0.33% 0.130% 1253 1.1 322 307537 4929937 4731087 7-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 161 189 148 207 129 157 0.992 19.45 -14.0 97 96 96 96 319 115.8 12.926 -0.183 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1068 Galactopyranose 19.3498 1887.2 3.1 scans 52% 204 m/z 1.8% 0.0222% 1261 1.4 128 55620 0.138% 841645 836602 5229335 0-2 11: 204 191 147 205 192 206 193 219 189 243 228 0.942 19.32 2.7 83 80 78 87 435 0.0 0.000 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4834 1897.4 2.7 scans 53% 174 m/z (191) 0.61% 0.0263% 1273 1.1 144 165411 999239 977842 1-1 11: 174 175 176 338 86 339 162 334 124 340 250 0.990 19.49 -0.4 85 85 81 90 338 28.2 3.816 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN BRA4_R~2-N1004 Galactose 19.5202 1900.2 >9 scans 51% TIC 2.2% 0.00929% 1277 1.0 145 45737 0.112% 352353 352353 4244098 0-0 0.969 19.36 12.1 90 89 72 90 364 0.0 0.000 0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9295 1933.1 3.8 scans 78% TIC 0.32% 0.140% 1316 1.3 280 315565 0.286% 5311286 4938769 10837608 0-1 0.926 19.91 1.4 94 93 91 97 361 12.3 0.193 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1038 C16:0 21.1732 2034.6 3.5 scans 98% 117 m/z 0.024% 3.12% 1434 0.4 1397 4234977 118605069 118554637 1-0 20: 117 313 73 75 132 129 145 314 55 131 328 133 118 69 57 201 74 315 269 116 1.000 20.62 46.3 94 99 99 100 328 160.6 1.324 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6751 2076.7 3.3 scans 85% TIC 0.28% 0.219% 1482 0.6 390 353313 0.430% 8336202 8336202 16294306 0-0 0.988 21.75 -6.2 98 97 96 97 507 24.7 0.399 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9761 2102.1 3.1 scans 59% 327 m/z 1.4% 0.0438% 1510 1.3 177 71763 0.0477% 1660710 1507476 1807531 2-3 9: 327 117 132 328 342 329 201 283 299 0.958 22.33 -30.9 94 97 91 98 342 23.1 1.703 -0.354 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2002 2121.7 >4 scans 70% TIC 0.61% 0.0741% 1531 0.9 227 167002 0.234% 2810721 2650151 8867134 1-0 0.985 22.19 1.2 96 95 88 96 396 94.7 17.349 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1040 Phytol 22.6337 2159.5 4.1 scans 81% 143 m/z 0.072% 0.419% 1573 0.7 468 1417385 0.529% 15882158 15331978 20045786 0-2 19: 143 75 73 123 144 57 81 124 55 145 103 71 82 97 83 96 213 68 74 0.988 22.08 48.0 80 83 89 95 181 6.7 0.000 0.550 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2040 2209.8 6.7 scans 91% 79 m/z 0.038% 6.52% 1627 0.2 1514 2629875 7.45% 247282350 242575547 282308329 0-1 20: 79 75 73 95 67 93 108 80 81 55 91 129 107 94 117 121 77 135 149 105 0.995 23.12 8.0 96 96 98 95 350 109.7 0.525 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3650 2224.5 >4 scans 55% TIC 0.30% 0.0596% 1642 1.0 277 336914 0.810% 2259450 2259450 30693926 0-0 0.982 23.34 2.7 90 88 86 96 286 44.5 2.583 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1036 C18:0 23.4344 2230.8 3.2 scans 75% TIC 0.082% 0.957% 1649 1.1 777 1240483 1.05% 36280633 29096804 39788422 0-2 0.877 22.89 49.0 91 99 94 99 356 99.1 1.625 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4491 2232.2 4.4 scans 31% 258 m/z 0.44% 0.274% 1650 1.1 383 229171 10391045 9670213 1-1 20: 258 348 265 349 259 305 120 274 137 379 331 364 164 152 170 262 306 80 106 277 0.623 23.26 17.6 92 93 65 92 379 35.5 0.859 0.192 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1006 17-Methyltestosterone 23.9005 2273.4 3.3 scans 93% 143 m/z 0.033% 2.09% 1693 0.6 1182 3046080 2.24% 79388130 74116029 84881967 2-4 20: 143 73 345 293 360 117 75 144 147 407 265 169 331 69 81 130 333 318 361 346 1.000 23.88 2.1 100 100 100 100 450 30.9 0.068 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9984 2282.4 2.7 scans 74% 143 m/z 0.24% 0.157% 1702 0.9 379 420662 1.93% 5967731 5874394 73134909 1-0 18: 143 73 168 155 360 181 144 270 169 69 156 265 205 345 147 74 195 145 0.991 23.97 2.3 95 92 91 99 360 64.5 2.893 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0573 2287.8 3.0 scans 28% 143 m/z 1.0% 0.0381% 1708 1.2 177 96600 0.932% 1445296 1441577 35316961 0-1 20: 143 293 409 147 265 294 115 424 286 144 299 130 410 334 201 285 183 202 292 319 0.639 24.04 1.9 93 95 59 95 424 24.1 1.851 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1594 2297.1 3.3 scans 20% 204 m/z (143 333) 0.73% 0.0331% 1718 1.0 142 138738 0.0418% 1256842 1139352 1583958 0-3 6: 204 337 103 338 219 339 0.814 24.18 -2.0 82 86 64 88 581 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1983 2300.7 3.9 scans 80% TIC 0.17% 0.433% 1721 0.9 478 583851 16408478 14705050 1-2 0.957 24.18 1.9 95 94 94 98 450 14.9 0.098 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1018 myo-Inositol 25.2295 2398.7 3.0 scans 60% 318 m/z 0.53% 0.126% 1819 1.0 291 189163 0.140% 4802478 3929650 5305123 14-3 18: 318 315 299 147 387 319 316 389 320 300 317 217 388 301 432 343 433 230 0.983 25.21 1.9 98 97 96 99 470 20.7 0.507 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2978 2405.4 3.3 scans 79% TIC 0.29% 0.251% 1826 1.0 414 342489 0.429% 9535795 8353691 16256412 0-4 0.982 25.28 1.7 98 97 97 98 464 10.0 0.059 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1022 Steroid 25.47min 2422 25.4978 2425.2 3.3 scans 77% TIC 0.24% 0.300% 1845 1.1 473 425206 0.305% 11400865 10346291 11557589 0-5 0.918 25.47 3.0 93 89 86 100 374 70.8 2.243 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3195 2506.9 3.2 scans 27% 204 m/z (345) 0.53% 0.0560% 1923 1.0 189 189458 0.664% 2124821 1867736 25161440 6-1 7: 204 217 205 219 206 218 220 0.892 25.86 46.2 82 91 86 97 361 5.1 0.000 0.464 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4111 2516.3 3.2 scans 83% 204 m/z 0.043% 0.711% 1932 0.8 720 2345181 0.841% 26946804 25188473 31868631 1-1 19: 204 73 205 147 495 206 117 363 496 273 130 74 129 103 191 231 497 131 319 0.989 26.35 6.3 94 93 96 94 495 106.0 2.175 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5752 2533.3 3.0 scans 21% 512 m/z 1.3% 0.0424% 1947 1.0 176 76715 1607392 1522960 1-1 15: 512 455 247 513 456 514 483 349 248 457 497 484 423 409 250 0.896 26.57 0.2 88 87 63 91 512 58.1 10.900 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9530 2572.3 3.0 scans 86% 371 m/z 0.036% 1.07% 1983 0.7 910 2783958 40606115 39199204 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 71 103 116 145 75 101 117 85 1.000 26.39 57.7 89 97 97 99 459 115.4 1.613 0.559 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN LQC1-N1010 Sucrose 27.4349 2622.8 2.9 scans 61% 361 m/z 0.13% 0.327% 2029 1.1 512 758810 12417806 12008884 1-2 11: 361 362 437 363 271 451 218 438 439 452 364 0.956 27.58 -15.4 95 94 93 97 437 90.5 3.124 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0662 2690.2 3.1 scans 71% 57 m/z 0.16% 0.307% 2089 1.1 476 601029 11670957 11226269 0-8 18: 57 71 85 55 99 83 56 113 97 70 127 84 141 111 98 58 86 112 0.958 28.06 0.4 95 95 95 96 542 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7491 2766.5 2.9 scans 88% 399 m/z 0.059% 0.715% 2154 0.9 740 1712467 27120892 25911241 1-1 19: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 101 117 267 85 0.999 28.19 62.6 88 97 97 100 487 94.0 1.613 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN SQUALENE-N1017 Squalene STD 29.1047 2806.5 3.3 scans 44% 69 m/z (204) 0.43% 0.0835% 2188 1.1 229 234117 0.112% 3167531 2961045 4244098 1-7 18: 69 81 137 136 68 95 121 93 123 67 149 107 82 135 70 53 94 421 0.971 29.09 1.4 83 81 94 93 410 11.3 0.241 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1034 Nonacosane 29.5298 2854.3 3.4 scans 41% 57 m/z 0.65% 0.0672% 2228 1.4 213 154994 2548242 2175772 2-12 17: 57 71 85 55 365 99 56 83 70 113 127 366 141 393 84 364 98 0.971 29.50 2.8 94 95 96 98 408 7.2 0.115 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8570 2891.1 3.5 scans 72% 57 m/z 0.19% 0.244% 2259 1.3 396 516391 9259508 8687059 0-7 20: 57 71 85 55 99 69 83 56 113 70 97 127 84 111 141 98 58 155 86 112 0.990 29.83 3.4 96 93 99 100 408 24.9 0.397 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1038 Hexacosanol 30.2000 2931.4 3.5 scans 24% 439 m/z 1.2% 0.0239% 2292 1.3 127 84097 0.0311% 908929 908929 1178495 0-0 3: 439 440 441 0.956 30.17 3.3 99 99 90 99 439 71.9 31.981 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4452 2960.5 3.5 scans 53% 193 m/z (57 204) 0.71% 0.131% 2315 1.2 281 141788 4984297 4759413 1-1 13: 193 119 105 163 120 194 176 515 247 171 325 248 106 0.970 30.36 10.4 84 87 90 89 529 10.4 0.137 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4883 2965.6 3.6 scans 60% 57 m/z 0.28% 0.172% 2319 1.1 326 356929 6525235 5708869 7-1 18: 57 71 56 85 393 55 83 99 392 70 394 113 111 127 84 141 58 365 0.990 30.46 3.0 98 96 98 99 393 75.7 5.396 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2354 3054.3 3.5 scans 74% 57 m/z 0.13% 0.394% 2390 1.0 502 773291 0.406% 14935338 13828016 15384857 3-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 394 421 98 0.989 31.21 2.8 98 96 99 99 393 75.2 2.245 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1048 Hentriacontane 31.5605 3092.9 3.7 scans 88% 57 m/z 0.039% 1.44% 2421 0.5 939 2564974 54764370 53603787 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 125 1.000 31.53 3.4 98 96 99 99 436 55.9 0.354 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7036 3109.9 7.8 scans 11% 204 m/z 1.6% 0.00980% 2435 0.8 107 61792 0.0754% 371419 371419 2857188 0-0 9: 204 205 597 217 337 206 598 73 103 0.864 31.68 3.3 86 88 75 88 597 15.0 1.960 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8457 3126.8 3.2 scans 80% 502 m/z 0.069% 0.531% 2448 0.8 615 1467388 20134616 19574717 1-0 17: 502 237 503 73 236 238 504 57 277 221 71 208 223 74 239 505 193 0.986 31.79 6.4 100 99 98 100 502 300.2 23.830 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9698 3141.5 3.8 scans 61% 329 m/z 0.56% 0.313% 2460 1.2 431 180811 11880092 10676121 1-1 14: 329 129 368 458 353 330 107 328 121 119 105 145 369 459 0.994 31.87 12.1 95 93 94 98 458 60.7 1.988 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1361 3161.3 4.6 scans 60% TIC 0.15% 0.269% 2476 0.9 464 650990 0.717% 10194845 10194845 27169808 0-0 0.988 32.11 3.1 98 96 99 99 421 101.0 4.746 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1004 Campesterol 32.8095 3241.3 4.1 scans 42% 343 m/z 0.39% 0.371% 2540 0.7 460 259001 0.418% 14085925 13305407 15839581 0-1 16: 343 129 382 472 367 344 145 107 121 383 342 119 105 159 473 255 0.869 32.21 71.2 82 95 82 97 472 74.1 2.597 0.599 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1046 Stigmasterol 33.0052 3264.5 4.3 scans 70% 75 m/z (309) 0.13% 1.49% 2558 0.7 862 777464 1.59% 56835453 52379285 60251039 1-1 17: 75 57 143 71 281 56 85 111 318 365 59 72 442 381 58 339 89 0.957 32.98 2.7 94 96 95 97 665 11.7 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1346 3279.9 3.4 scans 82% 57 m/z 0.062% 0.824% 2571 0.6 741 1629925 31250530 30421327 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.995 33.10 4.5 90 87 98 92 515 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN WTF2-N1034 b-Sitosterol 33.5050 3323.9 3.9 scans 72% 129 m/z 0.28% 0.565% 2606 0.8 579 353144 21446325 18701903 13-2 19: 129 357 396 486 381 95 358 397 107 121 119 75 57 145 356 105 81 55 159 0.995 32.88 74.6 85 97 98 99 486 83.1 2.058 0.628 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6281 3338.5 3.8 scans 71% 386 m/z 0.40% 0.465% 2618 0.8 540 254181 0.907% 17653766 16923781 34369618 3-4 15: 386 296 129 55 281 387 119 257 107 105 145 93 159 371 121 0.994 33.58 5.2 93 91 94 98 505 0.0 0.000 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6087 3455.0 4.3 scans 31% 596 m/z 0.43% 0.128% 2711 0.9 261 232159 4871562 4636463 1-1 13: 596 597 598 331 316 599 302 315 356 318 303 300 342 0.931 34.47 16.3 93 90 75 99 596 119.4 20.928 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN EXBLK5S-N1006 Contamination 6.3637 1047.8 2.6 scans 63% 207 m/z 0.80% 0.0300% 26 2.2 148 133504 1234010 1150201 1-6 14: 207 295 208 209 296 191 297 279 193 189 111 210 192 177 0.943 6.63 -15.5 96 96 87 97 295 46.7 9.948 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1192 Contamination 7.9483 1141.8 2.5 scans 96% 73 m/z 0.082% 0.413% 177 0.7 596 1305096 16951544 16567434 2-1 20: 73 147 133 235 220 148 59 146 72 86 160 74 89 75 100 103 149 131 134 236 0.994 7.99 -2.4 99 98 97 99 235 122.4 4.214 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1188 Contamination 8.3082 1163.1 3.9 scans 45% 281 m/z 4.7% 0.00783% 211 1.9 66 22905 321146 321146 0-1 10: 281 369 283 282 370 207 371 265 249 251 0.702 8.41 -6.3 93 92 83 96 369 21.5 10.518 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1186 Phosphate 8.4849 1173.6 2.1 scans 97% 241 m/z 0.046% 0.341% 228 1.0 581 2309493 14014391 13597519 1-0 19: 241 242 133 211 73 163 256 243 135 195 98 59 89 147 119 137 181 134 257 1.000 8.56 -4.4 100 99 99 100 299 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1180 Benzoic acid 9.6529 1242.2 3.4 scans 52% 179 m/z 6.3% 0.00795% 339 0.7 71 17047 0.00962% 326258 325670 394412 1-0 8: 179 105 135 70 180 194 51 113 0.710 9.76 -6.3 82 82 54 85 194 7.7 1.181 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN VEN77_S6-N1002 Glycerol 10.0380 1264.8 6.0 scans 98% 299 m/z 0.013% 3.63% 376 0.3 1177 7868383 148913514 143202533 1-1 20: 299 300 314 301 133 283 207 315 211 193 191 135 225 284 115 119 181 137 189 298 1.000 10.09 -3.2 98 96 91 99 299 658.8 31.510 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1174 Proline 10.4242 1287.4 3.3 scans 61% 142 m/z 1.2% 0.0128% 412 0.8 90 87585 528098 498313 5-1 5: 142 143 216 144 66 0.957 10.55 -7.0 93 95 89 94 142 69.5 60.136 -0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6504 1300.6 2.9 scans 62% 199 m/z 1.2% 0.0417% 434 0.8 172 86528 1711165 1571714 6-2 12: 199 117 145 132 200 129 131 118 61 155 72 119 0.845 10.73 -5.0 96 95 92 99 209 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9881 1321.0 2.7 scans 80% 184 m/z 1.3% 0.0278% 466 0.9 149 78794 0.0288% 1142713 1135511 1180775 1-0 19: 184 134 285 174 77 86 100 227 59 185 286 172 135 287 130 186 175 178 60 0.993 11.06 -4.5 98 97 93 98 285 45.1 9.229 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3659 1343.7 3.9 scans 72% TIC 0.50% 0.0821% 502 0.9 210 211391 0.107% 3366110 3162389 4386906 1-0 0.802 11.45 -4.8 96 94 95 99 145 59.4 7.995 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3764 1344.3 3.0 scans 45% 84 m/z 0.75% 0.0282% 503 1.4 141 142530 0.0305% 1158990 1131180 1250473 2-0 19: 84 133 162 161 119 92 118 51 82 78 65 134 50 63 52 105 120 104 174 0.953 10.96 25.3 91 92 87 94 161 37.7 7.154 0.420 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN TAB_REP6-N1026 Malic acid 13.4450 1472.0 2.6 scans 79% 73 m/z 0.89% 0.0336% 699 1.1 166 120029 1377701 1320714 2-0 19: 73 147 233 245 190 189 148 133 74 175 335 191 234 149 101 55 235 307 59 0.972 13.53 -5.6 95 94 89 94 335 19.6 1.385 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.6586 1485.5 2.8 scans 25% 115 m/z 12% 0.00227% 720 1.0 42 8801 93444 93444 0-0 5: 115 243 100 128 244 0.963 13.81 -9.3 83 85 61 85 243 20.5 23.890 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5551 1544.2 2.6 scans 79% 73 m/z (71) 1.0% 0.0353% 805 1.0 162 98884 1451257 1289268 6-1 20: 73 292 147 220 205 293 217 103 117 294 221 148 206 319 74 133 149 102 291 130 0.987 14.69 -9.0 92 93 91 94 409 9.8 0.365 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5551 1544.2 2.6 scans 78% 73 m/z 1.0% 0.0327% 805 1.0 161 100713 1342196 1192381 6-1 20: 73 292 147 220 205 293 217 103 117 294 221 148 206 319 74 133 149 102 291 130 0.996 14.62 -4.4 95 94 92 95 409 11.1 0.473 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1044 Dodecanol 14.7098 1554.4 2.9 scans 87% TIC 0.48% 0.0594% 820 0.8 204 224276 0.0743% 2439037 2167609 3046235 1-9 0.986 14.24 31.0 97 99 98 99 243 111.2 29.654 0.468 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1744 1654.0 3.5 scans 76% TIC 0.38% 0.0668% 959 1.2 202 276774 0.129% 2741480 2741480 5288887 0-0 0.916 16.28 -7.1 98 96 93 99 392 28.4 1.976 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5311 1678.8 2.8 scans 92% 55 m/z 0.30% 0.161% 993 1.1 328 357815 0.176% 6628251 5508199 7215846 9-5 20: 55 69 73 83 56 97 70 57 84 111 127 82 113 98 68 71 96 67 54 140 0.998 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1010 Glycerol-P 17.4697 1746.2 2.7 scans 98% 357 m/z 0.031% 1.97% 1082 0.6 1238 3434798 80828310 80727615 1-0 20: 357 299 73 147 358 315 300 370 445 211 103 101 359 301 129 256 133 387 218 328 0.999 16.97 36.7 96 99 98 99 445 196.1 2.510 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5391 1751.2 2.6 scans 48% 217 m/z 1.5% 0.0162% 1088 1.1 113 69070 0.105% 664679 615955 4304908 0-1 8: 217 218 219 450 305 232 451 203 0.942 17.63 -6.8 84 83 77 85 450 16.4 2.106 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4156 1815.9 4.1 scans 89% 73 m/z 0.029% 2.60% 1172 0.5 1181 3606431 106999697 106383369 0-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 66 133 77 90 213 121 0.937 17.91 37.7 95 99 93 98 327 116.3 0.970 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1012 Phytol 18.5513 1826.3 3.0 scans 97% 68 m/z 0.072% 1.31% 1185 0.5 934 1475757 1.48% 53876582 50929646 60678701 11-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 70 85 1.000 18.04 38.2 94 98 99 99 278 55.6 0.355 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1016 Hexadecene 18.6113 1830.8 2.6 scans 89% 70 m/z 0.31% 0.147% 1190 1.1 347 344486 1.07% 6047131 5814304 43869061 0-1 20: 70 69 55 71 57 83 56 111 125 126 97 84 280 85 140 67 112 98 68 82 0.997 18.10 38.4 85 85 92 97 280 52.1 2.247 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6386 1832.9 2.8 scans 51% 285 m/z 1.7% 0.0243% 1193 1.0 143 63256 998378 917904 1-2 18: 285 117 75 132 129 286 145 287 131 118 300 241 201 116 257 61 146 130 0.991 18.73 -6.8 95 95 82 95 300 15.2 1.134 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1076 Pregnane?? 18.7554 1841.8 2.6 scans 78% 345 m/z 0.86% 0.0453% 1204 1.1 203 124358 0.0758% 1860728 1833880 3107733 0-3 20: 345 73 255 147 346 347 334 256 435 148 74 133 372 257 419 149 239 215 348 243 0.990 18.86 -7.9 93 92 85 92 537 11.8 0.341 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1002 Phytol 18.8min 18.8407 1848.3 2.7 scans 89% 81 m/z 0.41% 0.210% 1212 1.1 409 260764 8621071 8038694 1-3 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 97 124 109 53 111 56 110 0.971 18.84 0.0 96 95 98 97 278 47.3 1.334 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8480 1848.9 3.0 scans 31% 264 m/z 1.3% 0.0722% 1213 1.5 218 81592 0.0774% 2960145 2907950 3173332 0-1 9: 264 265 266 192 242 222 281 206 270 0.303 18.87 -1.7 89 89 32 94 278 45.0 4.274 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1074 Adenine 18.8480 1848.9 3.0 scans 6.7% 264 m/z (81) 1.3% 0.0157% 1213 1.5 101 82622 0.0169% 646409 635011 692885 0-1 9: 264 265 266 192 242 222 281 206 270 0.788 18.94 -7.0 85 87 65 95 415 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1072 Fructose 18.9301 1855.2 2.8 scans 72% 73 m/z 0.80% 0.0454% 1221 0.9 188 134484 0.0497% 1861935 1769976 2037656 2-2 20: 73 103 307 217 147 308 277 218 133 104 309 74 364 189 205 117 89 172 148 173 0.986 19.03 -7.8 92 92 91 92 364 17.9 0.906 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0890 1867.3 2.8 scans 94% 81 m/z 0.20% 0.431% 1236 0.7 572 535203 17671387 17247843 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.998 18.58 38.9 93 95 98 99 278 77.8 1.852 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN BRA4_R~2-N1004 Galactose 19.2521 1879.7 2.7 scans 75% 319 m/z 0.81% 0.0510% 1251 1.1 199 131959 0.0538% 2093082 2028646 2205753 2-0 15: 319 205 160 147 320 217 321 103 206 229 157 207 161 189 218 0.984 19.36 -8.4 96 94 92 97 364 11.9 0.356 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1068 Galactopyranose 19.3289 1885.6 3.0 scans 51% 204 m/z 1.6% 0.0231% 1259 1.4 128 66512 0.0305% 949189 938457 1250473 0-2 9: 204 191 192 206 218 193 305 243 219 0.909 19.32 1.1 83 81 84 86 435 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4636 1895.8 3.3 scans 78% TIC 0.23% 0.0980% 1271 2.0 241 463560 0.198% 4021191 3416167 8117826 2-0 0.965 19.49 -2.0 92 91 90 93 338 45.8 3.603 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9108 1931.6 3.3 scans 81% TIC 0.25% 0.151% 1314 1.4 305 420654 0.312% 6191474 5862595 12791726 0-1 0.932 19.91 -0.1 93 92 90 97 361 13.0 0.182 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1038 C16:0 21.1566 2033.2 4.1 scans 98% 117 m/z 0.025% 3.14% 1432 0.3 1287 4186308 128801515 127507953 1-0 20: 117 73 75 132 129 314 145 55 131 133 118 201 57 315 69 74 116 130 83 146 1.000 20.62 44.9 94 99 99 100 328 149.5 1.351 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6553 2075.1 3.0 scans 74% 305 m/z 0.70% 0.0952% 1480 1.0 264 153556 3905634 3743227 3-1 17: 305 217 318 147 191 306 319 265 204 218 307 432 433 320 367 291 219 0.994 21.75 -7.8 97 96 95 97 507 17.5 0.440 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9562 2100.4 2.9 scans 58% 327 m/z 1.1% 0.0461% 1508 1.2 184 90859 1891385 1775290 1-2 8: 327 132 328 342 329 299 343 283 0.973 22.33 -32.6 93 95 91 97 342 24.5 1.778 -0.374 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1835 2120.2 >4 scans 66% TIC 0.59% 0.0807% 1530 1.0 223 182123 0.222% 3311761 3220344 9101805 1-0 0.989 22.19 -0.3 96 95 89 96 396 93.9 17.827 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1040 Phytol 22.6149 2157.9 3.8 scans 80% 143 m/z 0.068% 0.398% 1571 0.7 464 1565294 0.465% 16348300 15662618 19064592 0-2 16: 143 75 144 123 81 57 124 145 71 103 97 82 83 96 74 68 0.985 22.08 46.4 80 82 88 95 181 0.0 0.000 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1873 2208.3 6.6 scans 98% 55 m/z 0.037% 6.52% 1625 0.2 1492 2878634 8.33% 267388465 267336589 341522688 0-1 20: 55 117 145 69 74 68 96 76 82 83 61 116 54 97 132 130 137 185 57 118 0.992 23.12 6.5 97 97 98 97 350 108.2 0.526 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3504 2223.2 >4 scans 59% TIC 0.41% 0.0783% 1641 1.1 287 260937 0.806% 3211941 3211941 33045292 0-0 0.973 23.34 1.4 80 74 76 95 286 37.6 1.711 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1036 C18:0 23.4156 2229.1 3.2 scans 75% TIC 0.083% 0.882% 1647 1.1 758 1287860 0.996% 36200244 33820793 40835126 0-1 0.837 22.89 47.3 91 98 94 99 356 96.0 1.605 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4283 2230.3 4.1 scans 28% 258 m/z 0.42% 0.275% 1648 1.1 388 255049 11281387 11205504 1-0 18: 258 348 265 349 259 138 305 274 120 107 379 137 293 266 164 331 364 152 0.493 23.26 15.7 92 94 66 94 379 35.6 0.839 0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7281 2257.7 3.0 scans 28% 163 m/z 0.61% 0.0447% 1677 0.9 177 176490 1834988 1672340 2-3 9: 163 331 164 165 161 88 332 90 60 0.621 23.72 0.8 92 93 82 96 331 38.4 4.739 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1006 17-Methyltestosterone 23.8870 2272.2 3.4 scans 94% 143 m/z (353) 0.029% 2.52% 1692 0.5 1243 3689589 103420582 99077687 2-2 20: 143 73 345 360 293 117 75 144 147 265 407 169 69 331 81 130 333 119 257 115 1.000 23.88 0.9 99 100 100 100 450 31.6 0.065 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9807 2280.8 2.9 scans 73% 143 m/z 0.23% 0.160% 1701 0.9 373 462256 2.11% 6570129 6570129 86508148 0-0 19: 143 73 168 155 360 181 144 270 169 69 156 345 265 81 205 195 74 361 147 0.992 23.97 0.7 94 91 91 99 360 63.5 2.902 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0375 2286.0 3.0 scans 40% 143 m/z (75) 1.0% 0.0637% 1706 1.2 212 105596 1.57% 2612241 2608168 64368622 0-1 20: 143 293 409 294 147 265 424 115 144 286 201 410 130 292 183 285 319 299 334 230 0.917 24.04 0.1 92 95 82 96 424 26.3 1.546 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1406 2295.4 3.2 scans 40% 204 m/z (143) 0.61% 0.0699% 1716 1.0 206 174175 0.0967% 2868679 2569611 3964615 1-7 6: 204 337 338 219 339 285 0.894 24.18 -3.7 83 84 85 89 581 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1806 2299.0 3.9 scans 77% TIC 0.16% 0.408% 1720 0.7 468 639353 16763129 14168998 1-3 0.928 24.18 0.2 94 94 93 98 450 15.1 0.104 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1018 myo-Inositol 25.2075 2396.6 2.9 scans 49% 318 m/z 0.88% 0.0665% 1817 1.0 215 121462 0.0749% 2728489 2379996 3070834 4-7 16: 318 315 299 387 319 316 389 320 300 388 317 301 432 433 343 429 0.979 25.21 -0.2 96 96 95 97 470 15.2 0.500 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2770 2403.4 3.4 scans 81% TIC 0.26% 0.275% 1824 1.1 429 411644 0.418% 11288670 10174046 17137633 0-4 0.987 25.28 -0.3 98 97 97 98 464 9.5 0.049 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3018 2505.0 3.1 scans 27% 204 m/z (345) 0.50% 0.0567% 1921 1.1 192 211918 0.0767% 2325833 2059285 3144633 8-0 8: 204 217 205 219 206 218 306 220 0.898 25.86 44.3 82 90 87 97 361 5.8 0.000 0.446 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3944 2514.6 3.1 scans 86% 204 m/z 0.030% 0.968% 1930 0.8 846 3550279 1.07% 39726295 37757368 43869061 1-1 19: 204 73 205 147 217 495 206 117 363 496 130 273 129 74 103 191 131 231 319 0.991 26.35 4.6 95 94 97 95 495 129.5 2.360 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5575 2531.5 2.9 scans 32% 512 m/z 0.51% 0.107% 1946 0.9 277 211014 4397053 4369314 1-0 16: 512 455 247 513 456 514 483 248 349 457 263 497 484 423 515 409 0.914 26.57 -1.6 95 95 78 97 512 93.9 11.448 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9310 2570.0 2.8 scans 83% 371 m/z 0.045% 0.768% 1981 0.8 795 2361505 31503528 30537729 1-0 19: 371 372 147 57 129 205 203 239 459 373 55 71 103 116 101 75 145 117 85 0.998 26.39 55.4 90 97 97 99 459 101.6 1.639 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1008 Sucrose 27.4140 2620.6 2.7 scans 45% 361 m/z (143 397) 0.25% 0.171% 2027 1.0 364 427827 7021868 6461118 1-2 10: 361 362 437 363 271 451 438 439 452 364 0.948 27.59 -18.9 92 95 91 97 437 64.7 3.163 -0.177 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1014 Sucrose 27.4140 2620.6 2.7 scans 45% 361 m/z (143) 0.25% 0.170% 2027 1.0 363 424360 6988072 6430020 1-2 10: 361 362 437 363 271 451 438 439 452 364 0.960 27.49 -8.1 90 89 88 97 437 64.6 3.165 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN LQC1-N1010 Sucrose 27.4150 2620.7 4.6 scans 45% TIC 0.28% 0.157% 2027 1.9 363 379485 0.402% 6446335 5938013 16481647 1-0 0.759 27.58 -17.5 94 93 90 98 437 59.0 2.643 -0.164 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0516 2688.6 3.1 scans 78% 333 m/z 0.16% 0.282% 2088 0.8 449 654581 11598522 11593355 1-0 12: 333 334 423 462 288 372 424 293 335 463 425 373 0.922 28.06 -1.2 95 96 88 95 542 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7261 2763.9 2.7 scans 87% 399 m/z 0.075% 0.501% 2152 0.8 634 1434735 20549109 20281073 1-0 17: 399 400 73 147 129 205 203 487 401 103 55 71 116 145 101 267 117 0.998 28.19 60.0 88 97 97 100 487 81.0 1.632 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN SQUALENE-N1017 Squalene STD 29.0796 2803.7 2.9 scans 42% 69 m/z 0.45% 0.0548% 2185 1.2 218 238029 0.0763% 2248480 2122159 3128233 4-4 18: 69 81 136 68 137 95 121 93 67 123 149 70 107 82 135 94 421 53 0.946 29.09 -1.4 80 79 92 89 410 10.9 0.253 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1034 Nonacosane 29.5078 2851.8 2.9 scans 43% 57 m/z 0.63% 0.0569% 2226 1.0 215 170160 0.0652% 2334144 2050545 2673143 5-2 16: 57 71 85 55 99 365 56 70 113 127 393 366 141 84 364 98 0.980 29.50 0.3 90 88 96 97 408 8.3 0.150 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8340 2888.5 2.9 scans 73% 57 m/z 0.17% 0.224% 2257 1.1 422 623307 0.235% 9198086 8723408 9634794 1-1 19: 57 71 85 55 99 69 83 113 56 70 127 84 141 111 98 155 58 112 72 0.980 29.83 0.8 93 90 98 99 408 26.3 0.388 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1038 Hexacosanol 30.1749 2928.4 2.9 scans 31% 439 m/z 0.84% 0.0295% 2289 1.0 151 127145 0.0377% 1210434 1210434 1545667 0-0 4: 439 440 441 423 0.953 30.17 0.3 99 99 95 99 439 83.7 30.633 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4212 2957.6 3.1 scans 53% 193 m/z (204 57) 0.72% 0.110% 2313 1.1 275 148326 4550120 4348282 1-2 12: 193 119 105 163 120 176 194 171 515 247 325 516 0.962 30.36 7.5 84 88 90 91 529 11.3 0.169 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4653 2962.9 2.8 scans 66% 57 m/z 0.22% 0.172% 2317 1.0 362 481587 7061275 5930406 9-1 17: 57 71 85 56 393 55 83 99 70 392 113 394 127 141 84 58 365 0.995 30.46 0.3 98 96 99 99 393 86.5 5.706 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2124 3051.6 3.0 scans 76% 57 m/z 0.12% 0.354% 2388 0.8 506 860585 14547012 12645977 11-8 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 155 98 394 0.989 31.21 0.1 97 95 99 99 393 78.4 2.405 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1048 Hentriacontane 31.5365 3090.1 3.3 scans 88% 57 m/z (396) 0.045% 1.16% 2419 0.5 857 2376363 47560988 46431262 1-2 20: 57 71 85 99 55 69 83 97 113 56 70 127 141 84 111 98 155 112 169 126 0.999 31.53 0.6 98 99 99 99 436 52.2 0.371 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6785 3107.0 3.7 scans 18% 204 m/z 1.1% 0.0141% 2432 1.3 130 96667 0.110% 580430 547012 4509903 0-1 15: 204 205 217 597 73 337 598 191 103 129 206 338 361 243 599 0.905 31.68 0.4 88 89 81 88 597 17.1 1.740 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8206 3123.8 2.9 scans 75% 502 m/z 0.098% 0.330% 2446 0.8 502 1092961 13552259 13211147 1-0 16: 502 237 503 73 236 238 504 277 221 223 208 239 74 505 193 262 0.974 31.79 3.4 100 99 98 100 502 245.5 23.971 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9447 3138.6 3.3 scans 66% 329 m/z 0.46% 0.317% 2458 0.9 463 232085 13015223 12954440 0-1 13: 329 129 368 353 458 330 107 105 121 119 145 328 369 0.972 31.87 9.2 95 93 94 98 458 65.3 1.989 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1141 3158.7 4.2 scans 61% TIC 0.14% 0.319% 2474 0.9 483 761476 0.741% 13094261 13069352 30380350 1-0 0.993 32.11 0.5 97 95 98 99 421 107.2 4.913 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1004 Campesterol 32.7865 3238.5 3.6 scans 41% 343 m/z 0.41% 0.312% 2538 0.6 439 258048 0.349% 12827917 12191621 14308694 0-1 15: 343 129 382 472 367 344 121 107 119 145 383 342 105 473 159 0.972 32.21 68.4 82 94 82 95 472 70.6 2.589 0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1046 Stigmasterol 32.9864 3262.3 3.4 scans 61% 83 m/z (309) 0.15% 0.867% 2557 0.5 709 702694 35575990 34384344 5-0 18: 83 129 255 484 394 55 159 145 133 355 351 105 119 485 97 139 91 379 0.977 32.98 0.5 93 95 92 95 665 8.3 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1074 3276.7 3.2 scans 76% 57 m/z 0.067% 0.688% 2568 0.8 706 1601132 28210110 25827994 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 126 0.994 33.10 1.3 85 82 96 93 515 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN WTF2-N1034 b-Sitosterol 33.4809 3321.0 3.5 scans 70% 129 m/z 0.28% 0.490% 2604 0.7 572 376893 20122192 19386142 1-1 19: 129 357 396 486 381 95 119 358 121 397 107 145 75 105 81 356 57 159 93 0.995 32.88 71.7 85 97 98 99 486 83.1 2.108 0.604 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5988 3335.0 3.3 scans 67% 386 m/z 0.38% 0.395% 2615 0.9 533 276317 16209664 15825841 1-1 15: 386 296 129 55 281 387 119 257 105 107 93 121 159 145 91 0.992 33.58 1.7 93 90 94 98 505 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5794 3451.5 3.7 scans 39% 596 m/z 0.45% 0.168% 2708 0.9 311 236873 6899960 6721117 1-2 10: 596 597 598 316 599 302 315 356 318 303 0.951 34.47 12.8 82 74 52 99 596 114.3 13.502 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN EXBLK5S-N1006 Contamination 6.3658 1047.9 2.3 scans 76% 207 m/z 0.60% 0.0398% 27 1.5 174 179817 1464190 1324480 0-9 15: 207 73 295 208 209 296 191 297 279 189 193 210 177 247 192 0.993 6.63 -15.4 97 96 88 97 295 54.2 9.731 -0.259 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1192 Contamination 7.9536 1142.1 2.7 scans 96% 147 m/z 0.098% 0.456% 177 0.8 544 1112432 16771409 16545837 3-0 20: 147 73 133 220 235 148 146 59 72 86 74 160 103 100 75 89 149 131 134 236 0.994 7.99 -2.1 99 98 97 99 235 111.1 4.171 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1188 Contamination 8.3040 1162.8 3.4 scans 45% 281 m/z 4.3% 0.00876% 211 2.2 68 25183 321909 313716 0-1 9: 281 369 282 370 283 371 207 265 249 0.745 8.41 -6.6 93 94 85 96 369 22.6 11.019 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1186 Phosphate 8.4870 1173.7 2.2 scans 95% 241 m/z 0.079% 0.223% 228 1.2 439 1368780 8218736 7744183 1-1 20: 241 242 133 211 73 163 243 256 195 135 98 59 89 119 137 147 121 257 181 212 1.000 8.56 -4.3 100 99 99 100 299 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN VEN77_S6-N1002 Glycerol 10.0359 1264.7 6.3 scans 98% TIC 0.013% 4.30% 375 0.4 1174 8082919 157924846 156277266 1-0 1.000 10.09 -3.3 98 96 92 99 299 659.2 31.702 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1174 Proline 10.4252 1287.4 3.5 scans 64% 142 m/z 1.1% 0.0166% 412 0.8 94 95172 611571 587831 1-1 4: 142 143 216 144 0.929 10.55 -7.0 95 96 91 95 142 71.5 57.590 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6524 1300.7 3.0 scans 57% 199 m/z (69) 1.3% 0.0448% 434 0.9 165 83683 1645281 1505835 4-1 14: 199 75 117 145 132 129 200 131 118 76 61 201 72 155 0.964 10.73 -4.9 95 96 91 99 209 2.6 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9892 1321.0 2.7 scans 61% 184 m/z 3.8% 0.00992% 466 0.9 83 28479 0.0130% 364246 355709 477311 2-0 15: 184 134 285 174 100 185 86 286 77 227 186 172 59 135 130 0.991 11.06 -4.5 95 96 86 95 285 26.6 10.247 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3648 1343.6 4.1 scans 79% TIC 0.49% 0.0910% 502 0.7 208 219541 0.127% 3344427 3079512 4662959 1-0 0.975 11.45 -4.9 98 97 96 99 145 59.7 8.270 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3785 1344.5 3.0 scans 34% 84 m/z 1.1% 0.0220% 503 1.3 114 94396 0.0231% 810885 699056 848145 6-0 19: 84 133 161 162 119 92 118 207 51 78 134 63 52 105 163 91 174 104 93 0.952 10.96 25.5 86 86 84 94 161 31.6 7.624 0.422 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1160 Serine 11.4216 1347.1 2.6 scans 62% 204 m/z (215) 3.4% 0.0112% 507 1.0 92 31185 414222 414222 1-0 9: 204 218 205 278 100 219 188 206 279 0.975 11.56 -8.1 81 83 78 83 306 6.7 0.529 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1146 Malic acid 13.4450 1472.0 2.5 scans 81% 73 m/z 0.84% 0.0408% 699 1.2 175 129733 1500219 1407029 2-2 19: 73 147 233 245 190 148 189 133 175 335 191 234 149 74 101 55 246 307 171 0.975 13.62 -10.8 95 94 91 94 350 0.0 0.000 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.6586 1485.5 2.7 scans 25% 243 m/z (117) 10% 0.00288% 720 1.0 44 10264 105922 105922 1-0 5: 243 115 100 128 244 0.883 13.81 -9.3 84 89 60 88 243 22.2 24.965 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5540 1544.1 2.6 scans 79% 73 m/z 1.0% 0.0367% 805 1.0 159 101771 1349517 1235635 5-1 20: 73 292 147 220 205 293 217 103 117 221 294 148 206 133 74 319 149 102 291 218 0.999 14.69 -9.1 95 94 93 95 409 10.6 0.444 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1044 Dodecanol 14.7087 1554.4 2.9 scans 88% TIC 0.48% 0.0656% 819 0.8 204 225181 0.0855% 2410662 2312881 3139236 1-1 0.984 14.24 31.0 97 99 98 99 243 110.0 29.187 0.467 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1733 1653.9 3.5 scans 76% TIC 0.36% 0.0792% 959 1.1 205 295868 0.145% 2909353 2909353 5323851 0-0 0.923 16.28 -7.2 98 97 93 99 392 28.2 1.891 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5290 1678.6 2.8 scans 91% 55 m/z 0.32% 0.170% 992 1.2 316 340865 0.185% 6248765 5402711 6792500 9-3 19: 55 69 83 73 56 70 97 57 84 111 82 113 127 98 68 140 96 67 112 0.998 16.63 -6.8 99 98 98 98 210 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1010 Glycerol-P 17.4696 1746.2 2.8 scans 98% 299 m/z 0.031% 2.32% 1082 0.6 1244 3477106 85456788 85456788 0-0 20: 299 357 73 147 315 358 300 370 445 211 103 101 359 133 129 301 256 387 218 328 0.999 16.97 36.7 96 99 99 99 445 197.2 2.514 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5380 1751.2 2.6 scans 41% 217 m/z 1.9% 0.0152% 1088 1.1 102 55081 0.125% 561472 517430 4589527 0-1 8: 217 218 450 219 232 305 257 451 0.953 17.63 -6.8 82 81 72 84 450 15.3 2.226 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1086 Fructofuranose 18.1546 1796.2 5.2 scans 53% 73 m/z 1.7% 0.0237% 1147 1.9 114 60665 0.0656% 870957 870957 2408584 0-0 14: 73 437 438 439 219 257 215 129 205 291 103 74 189 231 0.983 18.13 1.6 90 90 85 91 437 32.3 8.042 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4156 1815.9 4.4 scans 88% 312 m/z (310) 0.031% 2.95% 1172 0.5 1146 3415949 108611455 107535638 0-1 20: 312 73 76 135 120 119 132 149 50 136 62 74 118 78 58 327 66 133 77 90 0.999 17.91 37.7 93 99 98 99 327 111.8 0.953 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1012 Phytol 18.5534 1826.4 3.1 scans 97% 68 m/z 0.066% 1.65% 1185 0.5 975 1647345 1.86% 60592469 56789789 68292162 11-0 20: 68 95 82 123 57 69 55 81 83 67 71 97 96 109 124 111 79 56 70 53 1.000 18.04 38.3 94 97 99 99 278 57.7 0.350 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1016 Hexadecene 18.6144 1831.1 2.8 scans 89% TIC 0.27% 0.218% 1191 1.3 373 397329 4.73% 8007749 7578280 173667703 0-1 0.997 18.10 38.7 85 85 92 97 280 55.7 2.232 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.8 scans 47% 285 m/z 1.7% 0.0272% 1193 1.1 137 61058 1000215 921511 2-1 16: 285 117 132 129 286 145 118 287 300 201 116 241 257 130 61 185 0.991 18.73 -6.9 95 95 82 95 300 14.1 1.057 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1076 Pregnane?? 18.7554 1841.8 2.6 scans 73% 345 m/z 0.98% 0.0448% 1204 1.0 185 111001 1645290 1573203 1-1 17: 345 73 346 147 255 347 334 256 435 419 148 372 257 239 133 348 243 0.928 18.86 -7.9 93 93 83 93 537 10.8 0.340 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1002 Phytol 18.8min 18.8417 1848.4 2.7 scans 93% 81 m/z 0.37% 0.262% 1212 1.1 425 290043 9646252 9188688 1-3 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 97 124 109 53 111 278 56 0.995 18.84 0.1 96 95 99 97 278 49.2 1.343 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9301 1855.2 2.7 scans 69% 73 m/z 0.93% 0.0423% 1221 0.9 173 116967 0.0665% 1553532 1531975 2441628 2-0 20: 73 103 307 217 147 308 277 218 133 364 104 309 205 74 189 89 117 172 191 148 0.977 18.40 40.2 92 97 96 98 364 17.2 0.987 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1072 Fructose 19.0500 1864.3 3.0 scans 59% 73 m/z (81) 1.1% 0.0478% 1232 1.5 166 98819 0.114% 1756698 1602389 4185649 3-0 20: 73 103 307 217 147 308 277 218 309 104 262 205 74 364 89 219 133 189 148 117 0.944 19.03 1.3 86 87 86 88 364 15.6 0.884 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0890 1867.3 2.9 scans 96% TIC 0.18% 0.597% 1236 0.6 603 605395 21924462 20488394 1-3 0.999 18.58 38.9 93 95 98 99 278 82.2 1.855 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1068 Galactopyranose 19.1995 1875.7 2.7 scans 70% 204 m/z 0.71% 0.0367% 1246 1.3 168 153448 0.0843% 1347593 1346087 3095177 1-0 15: 204 191 205 147 217 206 192 129 218 189 193 148 305 331 219 0.990 19.32 -8.8 93 92 91 93 435 9.8 0.340 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN BRA4_R~2-N1004 Galactose 19.2521 1879.7 2.8 scans 60% 319 m/z 1.4% 0.0347% 1251 1.0 151 76653 0.0655% 1275569 1148833 2404912 0-1 12: 319 205 160 320 321 103 206 229 161 207 157 89 0.991 19.36 -8.4 93 92 89 94 364 9.0 0.356 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4625 1895.8 3.7 scans 71% TIC 0.35% 0.0787% 1271 1.9 199 306610 0.177% 2890738 2581302 6498770 1-0 0.925 19.49 -2.0 91 91 89 93 338 36.8 3.442 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9097 1931.5 3.2 scans 80% TIC 0.26% 0.163% 1314 1.1 290 408195 0.258% 6011069 4959776 9472784 0-2 0.935 19.91 -0.2 94 92 91 98 361 12.6 0.187 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2674 1960.2 2.8 scans 72% 204 m/z 0.43% 0.0646% 1348 1.0 219 248902 0.0877% 2374487 2296553 3220012 0-3 20: 204 73 191 205 147 217 206 192 218 74 129 189 103 193 133 148 219 305 291 203 0.986 20.41 -11.8 94 94 93 94 217 50.1 5.253 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1038 C16:0 21.1534 2032.9 4.0 scans 97% 117 m/z 0.027% 3.31% 1432 0.4 1271 4008569 121567112 121414085 1-0 20: 117 313 73 75 132 129 145 314 55 131 328 133 118 57 69 74 201 315 116 83 1.000 20.62 44.6 94 99 99 100 328 145.4 1.311 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6532 2074.9 3.0 scans 60% 305 m/z 1.0% 0.0748% 1479 1.0 211 106604 0.159% 2749836 2568555 5837878 10-2 19: 305 217 318 147 191 306 319 265 204 218 307 432 320 433 367 291 192 219 148 0.991 21.75 -8.0 96 95 93 96 507 14.8 0.489 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9552 2100.3 3.5 scans 67% TIC 1.1% 0.0595% 1508 1.0 199 95788 0.287% 2185664 2185664 10537554 0-0 0.956 22.33 -32.7 94 96 91 98 342 24.5 1.518 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1793 2119.8 >4 scans 62% TIC 0.94% 0.0477% 1529 0.9 172 116040 0.196% 1751827 1659166 7196378 1-0 0.976 22.19 -0.7 95 94 85 95 396 72.7 17.912 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1862 2208.2 6.4 scans 99% 117 m/z 0.037% 7.22% 1625 0.2 1482 2934666 9.66% 265350872 265350872 354678648 0-0 20: 117 69 74 96 76 83 54 97 130 132 72 137 185 351 57 118 110 199 151 111 0.996 23.12 6.4 98 97 99 97 350 107.6 0.527 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2599 2214.9 3.8 scans 65% 258 m/z (339) 0.54% 0.272% 1632 1.3 376 199847 1.84% 9996521 9996521 67557838 0-0 16: 258 143 348 265 177 349 192 259 305 115 120 134 266 293 144 274 0.998 23.26 0.3 93 93 94 97 379 22.3 0.353 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3398 2222.2 3.4 scans 31% 148 m/z 0.25% 0.0798% 1640 1.1 229 420325 0.121% 2930480 2930480 4442662 0-0 13: 148 95 149 286 161 108 147 162 178 163 287 179 362 0.678 23.34 0.4 86 93 65 91 286 47.5 4.299 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1036 C18:0 23.4124 2228.8 2.9 scans 70% 341 m/z 0.075% 0.880% 1647 0.7 741 1442717 0.907% 32313642 29174558 33301608 0-2 19: 341 117 73 132 75 129 145 342 356 55 57 133 131 343 201 118 74 297 313 0.956 22.89 47.0 92 98 92 98 356 100.0 1.822 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7197 2256.9 3.0 scans 30% 163 m/z 0.63% 0.0422% 1676 0.9 165 173077 1550865 1470628 2-1 9: 163 331 164 165 332 88 90 178 60 0.684 23.72 0.0 94 95 83 96 331 37.0 4.997 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1006 17-Methyltestosterone 23.8765 2271.2 3.1 scans 92% 143 m/z 0.044% 1.69% 1691 0.6 989 2457067 1.81% 62317482 57456232 66456351 3-4 20: 143 73 360 345 293 117 75 144 147 407 265 69 331 169 81 130 333 257 346 74 0.999 23.88 -0.1 100 100 100 100 450 24.4 0.061 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9743 2280.2 2.8 scans 66% 143 m/z 0.31% 0.119% 1700 0.8 308 343349 1.47% 4394017 4394017 53972838 0-0 18: 143 73 168 360 155 181 270 144 169 265 156 361 345 195 205 74 147 182 0.979 23.97 0.1 94 93 91 99 360 54.4 3.126 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0364 2285.9 2.9 scans 40% 143 m/z (67) 0.84% 0.0734% 1706 1.2 215 129449 1.15% 2697798 2587555 42223649 0-2 20: 143 293 409 147 265 294 115 424 144 286 201 334 285 183 410 319 130 292 299 230 0.906 24.04 -0.0 93 95 81 96 424 26.0 1.458 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1395 2295.3 3.3 scans 24% 204 m/z (143 117) 0.69% 0.0439% 1716 1.0 152 157624 0.0572% 1614428 1509195 2100168 1-6 6: 204 337 103 338 219 339 0.745 24.18 -3.8 82 87 67 90 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1753 2298.6 3.9 scans 74% TIC 0.24% 0.358% 1719 0.8 401 442656 13166093 11321819 0-3 0.911 24.18 -0.2 94 94 91 98 450 12.4 0.095 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1018 myo-Inositol 25.2075 2396.6 3.1 scans 53% 318 m/z 0.81% 0.0883% 1817 1.0 224 133686 0.102% 3244023 2745081 3745054 13-1 18: 318 315 299 387 147 319 316 389 320 300 388 317 301 432 343 433 246 470 0.980 25.21 -0.2 98 97 96 98 470 16.9 0.572 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2748 2403.2 3.0 scans 68% 182 m/z 0.36% 0.206% 1824 1.0 353 302196 7574680 7034973 8-4 12: 182 143 169 195 374 183 196 144 375 170 184 269 0.990 25.28 -0.5 98 97 97 98 464 8.8 0.063 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1022 Steroid 25.47min 2422 25.4758 2423.1 3.2 scans 71% TIC 0.28% 0.228% 1843 1.1 412 378453 0.366% 8401676 8401676 13438135 0-0 0.877 25.47 0.9 93 91 86 99 374 63.7 2.386 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3018 2505.0 3.0 scans 32% 204 m/z 0.55% 0.0476% 1921 1.0 184 195898 0.0576% 1749988 1631617 2114854 8-0 7: 204 217 205 219 206 218 306 0.900 25.86 44.3 84 91 88 97 361 7.8 0.000 0.446 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3891 2514.1 3.1 scans 85% 204 m/z 0.049% 0.687% 1930 0.8 651 2187165 0.769% 25259178 24139867 28234770 1-1 18: 204 73 205 147 206 117 129 130 74 103 191 231 133 131 319 497 189 245 0.988 26.35 4.1 93 92 96 92 495 92.2 2.009 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5533 2531.0 2.8 scans 50% 512 m/z (383) 0.44% 0.139% 1945 1.1 307 247660 5110121 5037701 1-0 15: 512 455 247 513 456 514 483 349 248 263 457 497 423 484 409 0.971 26.57 -2.1 94 95 87 98 512 99.5 10.528 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9310 2570.0 2.9 scans 89% 371 m/z 0.037% 1.10% 1981 0.8 869 2945330 40415972 39082476 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 103 55 71 116 145 117 75 101 85 0.999 26.39 55.4 90 97 97 99 459 111.6 1.653 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1014 Sucrose 27.4129 2620.5 2.7 scans 53% 361 m/z 0.27% 0.168% 2027 0.9 347 401563 6174509 5591119 1-8 13: 361 217 362 437 363 271 451 438 218 319 439 452 364 0.953 27.49 -8.2 93 90 88 97 437 62.0 3.204 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN LQC1-N1008 Sucrose 27.4150 2620.7 3.8 scans 57% TIC 0.29% 0.180% 2027 1.6 357 368512 0.419% 6637523 6637523 15384095 0-0 0.848 27.59 -18.8 95 93 89 97 437 58.7 2.710 -0.176 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0442 2687.9 3.1 scans 77% TIC 0.16% 0.287% 2087 0.7 457 652844 10570306 10057380 1-1 0.986 28.06 -1.9 95 95 97 96 542 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7271 2764.0 2.8 scans 90% 399 m/z 0.058% 0.735% 2152 0.7 717 1868609 26997963 26675710 1-0 20: 399 400 73 147 129 205 57 203 487 401 103 55 71 116 145 75 117 101 133 267 0.999 28.19 60.1 88 97 97 100 487 91.9 1.646 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1034 Nonacosane 29.5068 2851.7 3.0 scans 50% 57 m/z 0.56% 0.0754% 2226 0.9 227 192566 2769017 2326193 3-12 18: 57 71 85 55 99 56 365 83 70 113 127 393 84 366 141 364 98 58 0.985 29.50 0.2 94 92 97 98 408 8.2 0.131 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8330 2888.4 2.9 scans 73% 57 m/z 0.19% 0.229% 2257 1.1 390 552282 8444651 7687309 1-9 19: 57 71 85 55 99 69 56 83 113 70 127 84 111 141 98 155 112 58 72 0.984 29.83 0.7 94 90 98 99 408 25.4 0.424 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1038 Hexacosanol 30.1749 2928.4 2.8 scans 25% 439 m/z 1.2% 0.0203% 2289 1.0 119 85977 0.0274% 748540 748540 1006024 0-0 4: 439 440 441 442 0.948 30.17 0.3 99 99 89 99 439 68.0 32.423 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4222 2957.7 3.0 scans 62% 193 m/z (57) 0.49% 0.181% 2313 1.0 334 221969 6646259 6388829 1-3 12: 193 119 105 163 120 91 194 176 171 247 515 325 0.987 30.36 7.6 89 90 93 92 529 14.5 0.188 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4643 2962.7 2.9 scans 66% 57 m/z 0.23% 0.196% 2317 0.9 351 468525 7198223 6119318 8-2 17: 57 71 85 56 393 55 99 83 392 70 113 394 127 141 84 58 365 0.992 30.46 0.1 98 97 98 99 393 84.6 5.812 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2124 3051.6 3.0 scans 81% 57 m/z 0.10% 0.459% 2388 0.8 543 1009945 16884781 15576122 1-8 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 155 421 394 98 0.994 31.21 0.1 97 95 99 99 393 84.8 2.437 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1048 Hentriacontane 31.5354 3090.0 3.5 scans 88% 57 m/z 0.049% 1.16% 2419 0.5 800 2191507 42920298 41845020 1-2 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 141 84 155 98 112 169 125 0.999 31.53 0.5 100 99 100 99 436 49.4 0.381 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6785 3106.9 3.7 scans 19% 204 m/z 1.2% 0.0156% 2432 1.0 119 87703 0.0201% 576192 567020 737996 0-1 14: 204 205 73 597 103 217 361 598 337 191 129 206 219 338 0.915 31.68 0.3 88 89 78 89 597 16.1 1.843 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8185 3123.6 2.8 scans 78% 502 m/z 0.10% 0.359% 2446 0.8 487 1045289 13209146 13006018 1-0 15: 502 237 503 73 236 504 238 277 221 223 208 505 239 74 193 0.983 31.79 3.2 100 99 98 100 502 237.1 23.751 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9447 3138.6 3.3 scans 74% 329 m/z 0.44% 0.353% 2458 0.9 458 246042 12975454 12929284 0-1 17: 329 129 368 458 353 330 95 119 107 121 145 105 328 369 91 93 159 0.994 31.87 9.2 96 95 95 99 458 67.2 2.156 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1141 3158.7 3.8 scans 68% TIC 0.14% 0.335% 2474 0.8 476 778538 0.780% 12325829 12325829 28638649 0-0 0.992 32.11 0.5 98 96 99 99 421 107.8 5.141 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3140 3182.4 3.0 scans 29% 57 m/z 0.32% 0.149% 2493 0.9 314 335825 5496309 4890950 10-1 13: 57 71 85 99 56 70 113 127 84 141 98 112 86 0.912 32.33 -1.5 83 82 96 93 785 0.0 0.000 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1004 Campesterol 32.7833 3238.2 3.5 scans 59% 129 m/z (85) 0.35% 0.485% 2537 0.8 492 310849 0.509% 17809028 16778247 18688554 0-1 19: 129 343 382 472 367 344 75 107 95 145 119 383 121 342 105 81 93 473 159 0.970 32.21 68.1 82 95 89 97 472 77.2 2.460 0.573 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1046 Stigmasterol 32.9895 3262.7 3.5 scans 77% 83 m/z (309) 0.12% 1.33% 2557 0.5 823 858010 49032486 46647958 5-1 17: 83 129 55 255 394 484 81 159 133 105 119 75 145 107 351 355 91 0.998 32.98 0.9 96 97 99 98 665 7.4 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1063 3276.5 3.1 scans 82% 57 m/z 0.063% 0.797% 2568 0.7 718 1715371 29266630 29183682 0-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.991 33.10 1.1 87 84 97 92 515 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3378 3304.0 3.2 scans 10% 437 m/z 4.0% 0.0244% 2590 0.9 120 27262 896801 896801 1-0 4: 437 529 438 530 0.677 33.38 -4.9 81 80 64 90 529 24.2 4.106 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN WTF2-N1034 b-Sitosterol 33.4809 3321.0 3.5 scans 75% 357 m/z 0.25% 0.676% 2604 0.7 608 434629 24826430 23631231 1-2 15: 357 129 396 486 381 95 107 358 121 119 397 145 356 105 159 0.997 32.88 71.7 85 97 98 99 486 88.7 2.133 0.604 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5977 3334.9 3.4 scans 68% 386 m/z 0.45% 0.390% 2615 0.8 485 240893 14339554 13843448 1-1 13: 386 296 129 281 387 119 257 107 105 159 145 121 371 0.994 33.58 1.6 93 90 94 98 505 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2122 3407.9 3.7 scans 24% 99 m/z 0.74% 0.0854% 2673 0.9 206 146511 0.0979% 3137146 2992956 3594518 1-1 9: 99 499 500 509 100 383 510 451 501 0.934 34.22 -0.8 91 91 87 94 499 56.5 7.509 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N407_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5773 3451.2 3.8 scans 36% 596 m/z 0.48% 0.156% 2708 1.0 279 223591 5759819 5516140 1-1 8: 596 597 598 316 302 315 356 303 0.938 34.47 12.5 85 79 59 99 596 109.6 15.491 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN EXBLK5S-N1006 Contamination 6.3710 1048.2 1.8 scans 57% 207 m/z 1.7% 0.00908% 27 1.0 114 58019 381256 319323 1-6 9: 207 295 208 209 296 191 84 297 133 0.921 6.63 -15.1 94 93 77 94 295 34.5 9.232 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8061 1133.3 6.4 scans 60% TIC 3.2% 0.00977% 163 1.1 88 30639 0.277% 410214 410214 11624098 0-0 0.936 7.79 0.7 81 78 81 86 219 5.4 0.378 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1192 Contamination 7.9724 1143.2 2.7 scans 95% 73 m/z 0.085% 0.377% 179 0.8 627 1170871 15861427 14741049 2-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 103 100 149 160 131 134 70 1.000 7.99 -1.0 99 98 98 99 235 123.7 3.892 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1026 Cadaverine NC 8.1292 1152.5 2.3 scans 91% 174 m/z 0.32% 0.0487% 194 1.2 247 303923 2046525 1938359 2-1 20: 174 73 175 216 142 86 59 100 176 160 130 217 131 74 143 158 87 117 101 161 0.987 7.74 23.3 95 94 92 99 216 57.2 5.349 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1188 Contamination 8.3112 1163.3 2.4 scans 65% 281 m/z 3.8% 0.00675% 211 1.1 89 25885 0.00775% 283373 273352 325223 1-0 12: 281 147 369 282 283 370 207 265 148 249 371 149 0.847 8.41 -6.1 94 94 70 96 369 26.0 8.450 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1186 Phosphate 8.5048 1174.7 2.2 scans 98% 241 m/z 0.060% 0.241% 230 0.9 564 1645507 10130946 10042342 1-0 19: 241 242 133 73 211 163 256 243 135 195 98 59 89 119 147 137 134 121 257 1.000 8.56 -3.3 100 99 99 100 299 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1180 Benzoic acid 9.6675 1243.1 3.5 scans 51% 179 m/z 5.5% 0.00534% 340 0.6 64 17859 0.00632% 224465 223644 265214 4-0 8: 179 105 135 77 180 194 51 136 0.937 9.76 -5.4 94 94 87 96 194 11.4 3.146 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN VEN77_S6-N1002 Glycerol 10.0505 1265.5 6.2 scans 97% 299 m/z 0.012% 3.65% 377 0.3 1358 7936418 153540908 153540908 0-0 20: 299 300 73 314 301 133 283 147 207 315 211 193 191 205 316 302 135 74 225 103 1.000 10.09 -2.5 98 96 92 99 299 753.9 30.986 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6650 1301.5 3.1 scans 91% 199 m/z 1.2% 0.0522% 435 1.0 219 80508 2193994 2076672 1-1 20: 199 75 73 117 145 55 69 132 57 129 200 71 131 83 84 70 118 67 74 81 0.999 10.73 -4.1 90 85 75 99 209 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0027 1321.8 2.8 scans 62% 184 m/z 4.6% 0.00711% 467 0.8 86 21458 0.00829% 298389 293566 347884 3-0 15: 184 134 285 174 86 77 100 59 227 185 286 135 186 130 175 0.920 11.06 -3.7 92 92 83 92 285 26.5 9.625 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3752 1344.3 3.7 scans 16% 57 m/z 0.41% 0.0684% 503 0.9 229 240897 0.0710% 2874099 2709195 2979462 3-1 20: 57 97 115 145 127 69 129 59 111 109 128 72 71 87 98 113 201 114 96 110 0.892 11.45 -4.2 94 96 88 96 145 68.9 9.060 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3983 1345.7 3.1 scans 93% TIC 0.032% 0.690% 505 0.6 782 3124670 0.715% 28990801 26640772 30004440 4-1 0.985 10.96 26.7 97 98 97 99 161 200.3 6.556 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN TAB_REP6-N1026 Malic acid 13.4575 1472.8 2.7 scans 95% TIC 0.26% 0.101% 701 0.9 319 382240 4238374 4086316 2-1 0.999 13.53 -4.8 98 97 97 98 335 36.3 1.296 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1146 Malic acid 13.4575 1472.8 2.6 scans 95% 73 m/z 0.26% 0.0946% 701 1.1 318 382348 3970852 3912778 2-0 20: 73 147 233 245 133 189 190 148 75 74 175 191 101 55 335 149 234 59 217 265 0.999 13.62 -10.0 98 97 96 97 350 0.0 0.000 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2656 1525.0 2.6 scans 56% 263 m/z 1.0% 0.0161% 777 1.1 132 99545 679084 678334 0-1 16: 263 264 278 265 447 279 239 175 448 342 89 247 207 128 449 105 0.965 14.33 -4.0 88 84 85 97 278 33.3 6.336 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6654 1551.5 >3 scans 77% TIC 2.5% 0.00645% 815 1.4 86 39604 0.0682% 270948 267117 2861962 1-0 1.000 14.16 33.2 88 90 83 92 250 15.9 3.435 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1044 Dodecanol 14.7180 1555.0 2.6 scans 64% 243 m/z 2.3% 0.00965% 820 1.0 101 41890 0.0102% 405230 387805 428035 0-2 12: 243 244 103 89 97 83 61 101 245 111 115 59 0.945 14.24 31.6 94 96 88 97 243 54.8 29.264 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1848 1654.7 3.0 scans 73% 290 m/z 1.3% 0.0199% 960 1.9 132 71946 0.0253% 835598 758652 1061696 2-0 12: 290 73 291 292 158 392 131 74 144 59 115 393 0.971 16.28 -6.4 85 79 71 98 392 15.5 1.375 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.0 scans 59% TIC 5.2% 0.00335% 993 1.1 78 19013 0.0238% 140845 140845 998749 0-0 1.000 16.63 -6.5 83 84 86 84 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1010 Glycerol-P 17.4716 1746.3 2.7 scans 97% 357 m/z 0.043% 1.30% 1082 0.7 1181 2284850 54656006 53901143 1-0 20: 357 299 73 147 358 315 300 445 370 211 101 103 359 301 133 129 256 387 218 131 1.000 16.97 36.8 96 99 99 100 445 179.8 2.322 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN TAB_REP6-N1048 Citric acid 18.2355 1802.2 2.7 scans 56% 273 m/z 3.7% 0.00860% 1155 1.0 95 26590 360926 360926 1-0 15: 273 363 375 274 347 148 149 211 275 465 221 305 364 231 348 0.969 18.24 -0.6 83 81 79 87 465 12.0 1.593 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.2 scans 88% 73 m/z 0.033% 2.28% 1173 0.5 1255 3018560 96068828 93616566 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 213 77 90 75 121 0.937 17.91 38.3 94 99 93 99 327 120.3 0.919 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1012 Phytol 18.5617 1827.1 3.1 scans 98% 68 m/z 0.058% 1.41% 1186 0.4 1132 1696783 1.52% 59401423 58759853 63785663 1-1 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 56 79 85 70 1.000 18.04 39.0 94 98 99 99 278 64.5 0.325 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1016 Hexadecene 18.6196 1831.5 2.9 scans 90% TIC 0.31% 0.145% 1191 1.7 377 315139 3.82% 6109868 5850466 160303442 0-1 0.999 18.10 39.1 85 86 93 97 280 52.5 1.933 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6448 1833.4 2.8 scans 62% 285 m/z (70) 2.0% 0.0222% 1194 1.1 150 48977 934372 932771 1-0 15: 285 117 132 129 145 286 118 287 241 201 300 116 61 130 146 0.979 18.73 -6.3 93 95 85 95 300 13.9 0.867 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1002 Phytol 18.8min 18.8489 1849.0 2.7 scans 94% 81 m/z 0.43% 0.167% 1213 1.0 428 229713 0.175% 7025072 6558938 7343744 1-7 20: 81 82 68 95 57 123 55 69 83 67 79 71 96 97 124 109 56 53 110 111 0.999 18.84 0.7 99 98 100 99 278 47.1 1.209 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9447 1856.3 3.1 scans 72% TIC 1.1% 0.0300% 1222 1.3 162 87272 0.159% 1261550 1189527 6672316 0-1 0.969 18.40 41.3 91 96 93 98 364 15.2 0.876 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1018 Fructose 19.0636 1865.3 2.9 scans 42% 73 m/z 1.5% 0.0194% 1233 1.4 138 64269 0.0338% 814985 767527 1418392 1-1 19: 73 103 307 217 147 308 218 277 262 89 104 205 309 74 364 189 219 148 191 0.976 18.52 41.0 87 92 90 94 364 13.0 0.888 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0931 1867.6 2.9 scans 95% TIC 0.21% 0.372% 1236 0.8 604 456775 15637700 14417147 1-2 1.000 18.58 39.2 93 95 98 99 278 77.8 1.661 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1068 Galactopyranose 19.2120 1876.7 2.7 scans 36% 204 m/z 5.1% 0.00405% 1247 1.1 63 19254 0.0107% 169992 146687 449017 2-0 5: 204 191 205 206 192 0.945 19.32 -7.8 82 83 82 83 435 0.0 0.000 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN BRA4_R~2-N1004 Galactose 19.2677 1880.9 2.7 scans 60% 73 m/z 2.2% 0.0137% 1253 0.8 121 44413 0.0355% 577860 577860 1489731 0-0 20: 73 319 205 160 147 320 217 103 206 321 207 89 148 189 229 218 74 117 161 133 0.953 19.36 -7.2 90 90 83 91 364 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9138 1931.8 2.8 scans 49% 204 m/z 1.8% 0.0137% 1314 0.9 118 54913 0.0169% 578897 541316 709196 3-1 10: 204 205 159 217 206 218 191 160 149 219 0.835 19.91 0.1 91 92 86 92 361 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2778 1961.1 2.6 scans 48% 204 m/z 2.9% 0.00779% 1349 1.0 90 34356 327061 304249 2-3 9: 204 191 205 217 192 206 189 218 103 0.990 20.41 -10.9 81 80 82 83 217 21.4 5.641 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7818 2001.7 2.9 scans 92% TIC 0.39% 0.213% 1397 1.0 467 250104 0.233% 8951427 8544224 9777671 1-2 1.000 20.27 41.5 85 85 95 98 322 29.4 0.397 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1038 C16:0 21.1501 2032.6 3.2 scans 96% 313 m/z 0.039% 1.52% 1432 0.5 1165 2506023 63836327 59059536 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 201 69 315 74 269 116 1.000 20.62 44.3 94 99 99 100 328 128.8 1.223 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6678 2076.1 3.0 scans 65% 305 m/z 2.7% 0.0196% 1481 1.0 141 36571 824520 797304 3-1 17: 305 217 318 147 191 306 265 319 218 307 432 320 291 219 192 433 367 0.979 21.75 -6.8 92 92 89 92 507 8.4 0.359 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9624 2100.9 3.1 scans 53% 73 m/z (255) 1.0% 0.0565% 1509 0.9 225 94645 0.0661% 2371345 2269830 2773837 3-1 20: 73 117 75 132 145 55 57 133 201 131 118 69 74 83 146 116 185 76 171 130 0.941 22.33 -32.1 90 96 89 97 342 25.6 1.294 -0.368 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1630 2206.0 4.8 scans 95% 75 m/z (357) 0.047% 3.67% 1623 0.3 1474 2126958 4.01% 154401675 149814807 168276650 0-2 20: 75 79 73 95 67 93 108 81 80 129 55 91 117 107 94 121 135 149 77 145 1.000 23.12 4.2 98 99 99 99 350 102.2 0.481 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1036 C18:0 23.4165 2229.2 3.3 scans 92% 341 m/z 0.15% 0.416% 1647 0.8 612 640121 17487261 17154072 2-1 20: 341 117 73 75 132 129 145 342 55 57 356 133 131 69 118 343 74 201 297 116 0.996 22.89 47.4 93 99 98 99 356 73.6 1.446 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1010 Epitestosterone 24.0247 2284.8 >4 scans 96% 143 m/z 0.035% 1.80% 1705 0.7 1205 2785037 6.53% 75838116 73361844 274026565 0-1 20: 143 73 135 75 144 80 93 107 81 157 121 255 187 145 105 95 134 119 159 175 1.000 23.96 5.9 91 88 95 94 360 79.6 0.436 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1012 Androsterone 24.23min 24.3319 2313.4 >8 scans 93% 73 m/z 0.011% 6.19% 1734 0.4 1503 8388096 8.54% 260067098 249463496 358374711 1-0 20: 73 75 156 81 69 95 272 109 219 362 170 115 93 130 67 107 123 157 79 137 0.999 24.23 9.6 96 94 96 96 362 123.2 0.674 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1014 Androsterone 24.3min 24.3709 2317.1 11.7 scans 100% 73 m/z 0.010% 3.16% 1738 0.8 1587 9321107 9.04% 132673743 132673743 379356837 0-0 20: 73 144 75 81 156 145 69 95 109 155 55 219 74 67 93 115 170 79 107 117 1.000 24.27 9.2 95 93 96 96 362 126.1 0.634 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1016 Androsterone 24.5min 24.5624 2335.3 2.8 scans 93% TIC 0.032% 0.919% 1756 0.5 918 3045173 38603720 36100430 2-1 0.995 24.52 4.3 84 77 80 99 362 44.3 0.000 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1018 myo-Inositol 25.2200 2397.8 3.2 scans 77% TIC 0.45% 0.122% 1818 1.2 340 221709 0.221% 5151299 4853495 9274100 2-1 0.967 25.21 1.0 97 96 94 100 470 22.6 0.442 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6304 2438.4 3.1 scans 65% 91 m/z 0.31% 0.0623% 1857 1.1 237 319378 2616692 2361897 2-3 20: 91 117 194 207 92 115 208 65 193 103 77 312 104 118 51 116 179 78 128 195 0.990 25.61 2.1 99 99 98 99 312 26.8 1.286 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1024 Steroid 26.19min 2494 26.2354 2498.3 3.3 scans 96% 143 m/z 0.018% 2.15% 1915 0.6 1380 5393013 90534093 88128272 1-1 20: 143 73 192 177 75 81 144 191 156 169 69 95 155 272 170 109 122 123 145 55 1.000 26.19 4.2 92 88 95 99 347 55.3 0.161 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3006 2504.9 3.3 scans 20% 204 m/z 1.8% 0.00864% 1921 1.3 113 53378 0.0448% 362759 362759 1879998 0-0 8: 204 217 205 147 219 206 218 87 0.920 25.86 44.2 81 88 80 93 361 5.1 0.000 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5626 2532.0 2.7 scans 33% 512 m/z 1.3% 0.0271% 1946 0.9 172 72775 1137603 1085622 1-1 16: 512 455 247 513 456 514 483 263 248 349 457 484 497 249 423 235 0.928 26.57 -1.1 94 94 79 94 512 59.7 12.021 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9351 2570.5 2.9 scans 91% TIC 0.058% 0.665% 1981 0.9 802 1716933 27944985 27166712 1-2 1.000 26.39 55.9 90 97 98 100 459 96.3 1.442 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN LQC1-N1008 Sucrose 27.4233 2621.6 3.0 scans 21% 361 m/z (143) 1.4% 0.0268% 2028 1.0 158 71240 0.0302% 1127516 1080441 1267320 0-9 9: 361 362 437 363 451 438 452 273 332 0.874 27.59 -17.9 93 95 82 95 437 28.8 3.307 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1030 C18:0-2-glycerol 28.6712 2757.7 >3 scans 26% TIC 7.0% 0.00287% 2146 1.6 101 14089 0.140% 120764 120764 5874995 0-0 0.912 28.67 0.4 84 86 66 86 457 17.0 2.821 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7291 2764.2 2.8 scans 88% 399 m/z 0.089% 0.402% 2152 0.9 659 1111535 16875194 15789723 4-1 19: 399 73 400 147 129 205 203 103 55 401 487 116 75 145 117 101 267 133 83 0.991 28.19 60.3 90 98 97 100 487 79.9 1.468 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1034 Nonacosane 29.5256 2853.8 2.9 scans 92% 57 m/z 0.076% 0.480% 2228 0.7 683 1303382 20178650 20178650 0-0 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 84 141 393 155 364 366 0.999 29.50 2.3 94 91 97 99 408 23.8 0.122 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8413 2889.3 2.8 scans 87% 57 m/z 0.12% 0.262% 2258 0.9 517 787959 11006467 10558572 1-3 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 155 58 112 72 0.999 29.83 1.6 97 94 99 100 408 30.2 0.341 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4221 2957.7 >4 scans 65% TIC 0.72% 0.0725% 2313 0.4 266 137795 0.753% 3043686 3043686 31599082 0-0 0.938 30.36 7.6 81 81 87 83 529 3.1 0.000 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4936 2966.2 3.3 scans 94% 57 m/z 0.044% 0.946% 2320 0.5 909 2232407 39732950 39730276 1-0 20: 57 71 85 56 393 55 69 99 83 97 70 113 392 394 127 111 141 84 155 58 0.999 30.46 3.6 98 96 98 100 393 206.7 5.169 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2312 3053.8 3.0 scans 91% 57 m/z 0.053% 0.742% 2390 0.6 839 1862873 31174769 30627363 1-1 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 141 84 155 98 394 169 0.999 31.21 2.3 98 96 99 100 393 123.5 2.169 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1048 Hentriacontane 31.5395 3090.4 3.2 scans 91% 57 m/z 0.044% 0.934% 2419 0.6 914 2230358 39226811 37953057 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 86 0.999 31.53 0.9 100 99 100 99 436 51.4 0.317 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8247 3124.3 2.9 scans 80% 502 m/z 0.10% 0.325% 2446 0.8 572 984508 13650035 13329921 1-1 16: 502 237 73 503 236 238 504 57 277 221 223 74 208 239 505 193 0.992 31.79 3.9 99 98 97 100 502 265.5 21.532 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9530 3139.6 3.1 scans 82% 129 m/z 0.27% 0.423% 2458 0.7 634 358730 17761875 17136404 4-0 19: 129 329 368 458 353 95 75 330 57 121 107 81 145 105 119 328 369 55 91 0.996 31.87 10.2 96 94 95 99 458 90.3 2.030 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1203 3159.4 3.1 scans 60% 57 m/z (199) 0.15% 0.251% 2474 0.9 475 653793 0.351% 10561335 9792413 14729452 2-5 19: 57 71 85 56 55 83 99 97 70 420 127 111 84 141 58 86 125 82 98 0.990 32.11 1.2 96 97 99 99 421 98.2 4.275 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1004 Campesterol 32.7832 3238.1 3.6 scans 48% 129 m/z (57) 0.60% 0.188% 2537 1.0 396 164561 0.227% 7914929 7914929 9525885 0-0 19: 129 343 382 472 367 95 107 344 75 119 121 105 383 342 145 81 91 159 93 0.961 32.21 68.0 82 95 86 97 472 58.2 2.165 0.573 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN QC1-N1046 Stigmasterol 33.0094 3265.0 3.6 scans 90% 83 m/z (421) 0.076% 1.92% 2559 0.4 1211 1314305 80954843 77587481 1-0 19: 83 129 255 55 69 394 81 484 75 133 159 119 145 107 105 355 97 91 93 0.999 32.98 3.2 94 94 98 97 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.4019 3311.6 3.4 scans 36% 217 m/z 0.68% 0.0745% 2596 1.0 347 145899 0.269% 3127389 3127389 11288384 0-0 20: 217 361 95 199 437 73 529 203 273 161 169 113 438 362 103 218 71 530 147 145 0.967 33.38 2.7 84 84 64 85 529 58.5 2.839 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN WTF2-N1034 b-Sitosterol 33.4756 3320.4 3.2 scans 47% 357 m/z 0.51% 0.225% 2603 0.9 457 195349 9461364 9301720 1-1 11: 357 396 486 381 358 397 119 356 255 487 120 0.932 32.88 71.1 84 97 95 98 486 62.1 1.851 0.599 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8975 3370.5 3.5 scans 1.1% 441 m/z 5.0% 0.00292% 2643 1.1 47 19828 0.00451% 122868 122868 189259 0-0 4: 441 442 646 308 0.976 33.80 12.1 83 85 52 85 646 9.4 3.990 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5972 3453.6 3.9 scans 25% 596 m/z 0.47% 0.126% 2710 0.9 299 210842 5297873 4729582 1-8 13: 596 597 598 316 599 318 356 317 303 330 300 370 286 0.745 34.47 14.9 92 89 65 99 596 122.9 16.837 0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 1.7 scans 65% 207 m/z 0.81% 0.0102% 27 1.0 148 122799 646890 592226 1-1 14: 207 295 208 209 296 191 297 193 279 189 177 247 210 192 0.937 6.63 -15.1 97 96 89 96 295 48.3 10.581 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8577 1136.4 3.6 scans 37% 147 m/z 4.7% 0.00167% 168 0.9 58 20910 0.0767% 105493 105493 4833706 0-0 5: 147 73 66 148 149 0.913 7.79 3.8 83 84 79 86 219 6.1 1.127 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1192 Contamination 8.0218 1146.1 2.2 scans 96% 147 m/z 0.087% 0.213% 184 0.9 603 1139518 13431228 12924425 9-0 20: 147 73 133 220 235 148 59 146 72 86 160 74 75 89 103 100 149 131 134 236 0.985 7.99 1.9 97 96 96 97 235 121.3 4.049 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1026 Cadaverine NC 8.1291 1152.5 2.3 scans 89% 174 m/z 0.32% 0.0330% 194 1.2 237 311197 2081695 1967084 1-2 20: 174 73 175 216 86 142 59 176 100 160 130 217 143 131 74 231 218 87 158 172 0.998 7.74 23.3 95 93 91 99 216 55.1 5.388 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1188 Contamination 8.3112 1163.3 2.4 scans 76% 281 m/z 2.4% 0.00773% 211 1.2 112 40826 487515 458925 1-1 14: 281 147 369 282 283 370 265 371 148 207 249 191 284 267 0.887 8.41 -6.1 96 95 74 99 369 31.0 7.689 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1186 Phosphate 8.5490 1177.4 2.2 scans 98% 241 m/z 0.026% 0.378% 234 0.9 819 3778479 23822209 23822209 0-0 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 75 137 121 134 181 1.000 8.56 -0.6 100 99 99 100 299 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1180 Benzoic acid 9.7043 1245.2 2.7 scans 59% 179 m/z 5.5% 0.00251% 344 1.2 61 18031 0.00375% 158301 146409 236329 5-1 7: 179 105 135 77 180 51 194 1.000 9.76 -3.3 93 92 85 96 194 9.6 2.473 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN VEN77_S6-N1002 Glycerol 10.0694 1266.6 5.3 scans 95% 299 m/z 0.013% 1.92% 379 0.3 1234 7508606 121022730 121012943 1-0 20: 299 73 300 314 301 147 205 133 207 283 315 211 117 193 103 191 218 316 135 74 0.983 10.09 -1.4 99 97 93 99 299 698.5 32.229 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5418 1294.3 2.5 scans 20% 147 m/z 3.7% 0.00291% 423 1.1 63 26590 0.00448% 183413 153428 282334 6-10 4: 147 245 148 149 0.602 10.60 -3.5 85 87 76 87 245 15.6 6.140 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6902 1303.0 2.7 scans 75% 199 m/z 1.1% 0.0239% 438 0.8 180 85581 1509218 1489801 2-0 17: 199 75 117 145 132 129 200 131 61 76 201 74 118 133 72 155 107 0.939 10.73 -2.6 98 97 91 99 209 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1168 Glyceric acid 10.9659 1319.6 2.6 scans 46% 147 m/z 8.5% 0.00223% 464 1.0 57 11655 0.00388% 140526 106218 244521 3-0 9: 147 292 189 73 205 103 133 215 293 0.844 11.05 -5.3 83 82 71 87 292 17.4 9.355 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0258 1323.2 2.5 scans 67% 184 m/z 2.5% 0.00895% 469 1.1 115 38749 0.00987% 564077 502951 622017 2-1 19: 184 134 285 174 73 77 86 185 100 286 59 227 172 135 186 130 175 110 178 0.944 11.06 -2.3 98 97 95 98 285 35.0 9.266 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3983 1345.7 3.0 scans 18% 57 m/z (84) 0.40% 0.0461% 505 0.9 227 245820 0.0494% 2911196 2715838 3113234 3-1 16: 57 97 115 145 127 129 69 111 109 128 72 98 113 201 114 110 0.894 11.45 -2.8 93 98 89 98 145 68.7 9.182 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4299 1347.6 3.1 scans 96% 84 m/z (57) 0.022% 0.678% 508 0.5 909 4489175 42747200 41580062 2-1 20: 84 133 162 161 119 92 118 82 85 65 51 130 78 134 117 63 55 120 91 52 0.999 10.96 28.6 95 97 97 99 161 235.9 6.747 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1146 Malic acid 13.4648 1473.3 2.6 scans 95% 73 m/z 0.10% 0.168% 701 1.0 505 982449 10639258 10212819 1-1 20: 73 147 233 245 133 189 148 75 190 74 175 191 55 335 101 149 234 59 117 217 0.999 13.62 -9.5 100 99 98 99 350 12.8 0.064 -0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9583 1504.6 2.8 scans 38% 156 m/z 4.7% 0.00188% 748 1.2 52 21091 119041 119041 0-0 4: 156 157 230 258 0.984 14.11 -10.1 88 88 80 91 273 0.0 0.000 -0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2740 1525.5 2.6 scans 61% 263 m/z 0.71% 0.0145% 778 1.0 150 140361 915809 915345 0-1 17: 263 264 278 447 265 279 448 175 449 247 207 149 128 89 191 205 135 0.976 14.33 -3.5 84 78 83 97 278 37.4 6.228 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6728 1552.0 3.2 scans 84% TIC 0.82% 0.0144% 816 1.7 143 120687 0.0787% 909713 904364 4959748 1-0 0.993 14.16 33.7 92 94 91 97 250 27.7 3.750 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1044 Dodecanol 14.7233 1555.3 >4 scans 65% TIC 2.0% 0.00701% 821 1.5 106 48898 0.0277% 441890 441890 1745680 0-0 0.817 14.24 31.9 93 95 79 96 243 56.4 28.387 0.481 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1879 1654.9 2.8 scans 52% 290 m/z (195) 1.2% 0.00904% 960 1.7 106 80937 570067 564489 0-1 6: 290 291 292 392 144 393 0.990 16.28 -6.2 95 97 88 97 392 15.6 2.179 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5394 1679.3 3.5 scans 53% TIC 4.0% 0.00268% 993 1.3 84 24994 0.0230% 169457 169457 1449482 0-0 0.972 16.63 -6.1 85 85 83 85 210 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1010 Glycerol-P 17.4748 1746.6 2.9 scans 96% 357 m/z 0.052% 0.777% 1082 0.7 1006 1902031 48974585 47359702 2-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 129 256 218 328 1.000 16.97 37.1 96 99 99 99 445 158.4 2.482 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5526 1752.2 2.8 scans 50% 217 m/z 1.5% 0.0111% 1090 1.1 124 66648 0.0693% 701024 641634 4367351 0-1 12: 217 218 450 219 305 232 191 175 257 451 148 203 0.981 17.63 -5.8 84 84 72 84 450 18.6 2.243 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1086 Fructofuranose 18.1745 1797.6 3.8 scans 66% 217 m/z 1.5% 0.0160% 1149 1.9 134 64771 0.0388% 1010895 1009525 2445212 1-0 19: 217 73 437 438 147 218 257 439 219 285 103 129 215 117 291 74 189 205 231 0.960 18.13 3.0 84 82 81 87 437 32.9 6.008 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4270 1816.8 4.3 scans 94% TIC 0.032% 1.67% 1173 0.5 1241 3123323 2.71% 105644944 97620604 170786745 1-4 0.984 17.91 38.6 96 99 98 100 327 117.4 0.896 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1012 Phytol 18.5669 1827.5 3.5 scans 96% 68 m/z 0.065% 0.989% 1186 0.5 1028 1526474 1.06% 62359096 57444462 66802195 11-1 20: 68 95 82 69 57 123 55 81 83 67 97 71 96 109 124 111 56 79 70 85 1.000 18.04 39.4 94 98 99 99 278 60.9 0.351 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1016 Hexadecene 18.6269 1832.0 2.8 scans 77% 70 m/z 0.35% 0.0789% 1192 1.2 322 281408 0.496% 4976393 4431496 31258386 0-3 19: 70 69 71 57 55 83 56 111 125 126 97 84 280 85 140 112 98 281 127 0.987 18.10 39.6 84 85 93 96 280 48.4 2.252 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6522 1834.0 3.0 scans 47% 285 m/z (70) 1.1% 0.0293% 1194 1.5 185 85008 1849710 1664002 1-9 17: 285 117 75 132 129 286 145 131 118 287 300 116 201 241 257 61 130 0.966 18.73 -5.7 94 96 84 96 300 18.2 0.959 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1002 Phytol 18.8min 18.8552 1849.4 3.0 scans 92% 81 m/z 0.54% 0.118% 1214 1.4 368 183326 7498939 6638611 1-11 20: 81 82 95 68 57 123 55 69 67 83 71 79 96 124 97 109 53 278 110 56 0.996 18.84 1.1 100 99 100 99 278 41.6 1.274 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1072 Fructose 18.9468 1856.4 2.9 scans 83% 73 m/z 0.41% 0.0554% 1222 1.3 274 240613 3496765 3372023 1-1 20: 73 103 217 307 147 308 218 277 133 309 104 205 74 189 364 117 89 219 148 172 0.994 19.03 -6.6 95 94 95 94 364 25.8 0.885 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1070 Fructose 19.0667 1865.6 3.0 scans 57% 73 m/z (81) 0.51% 0.0546% 1234 1.5 248 194413 0.0971% 3444445 3179449 6119333 1-3 20: 73 103 307 217 147 308 218 277 309 364 74 205 89 104 262 219 133 189 117 148 0.944 19.19 -9.7 89 91 92 91 554 10.6 0.182 -0.127 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1004 1868.1 3.1 scans 91% 81 m/z 0.25% 0.237% 1237 1.1 534 396071 14937477 14022284 1-3 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 56 53 0.998 18.58 39.7 93 96 98 99 278 70.1 1.723 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1068 Galactopyranose 19.2172 1877.1 3.2 scans 59% TIC 1.0% 0.00674% 1248 1.3 141 91851 0.213% 425330 425330 13423460 0-0 0.993 19.32 -7.4 87 86 89 87 435 7.9 0.312 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN BRA4_R~2-N1004 Galactose 19.2687 1881.0 2.9 scans 78% 73 m/z 0.61% 0.0385% 1253 1.1 238 162808 0.0986% 2427628 2400013 6213865 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 229 74 161 207 133 189 157 148 291 0.991 19.36 -7.1 95 94 93 96 364 14.5 0.370 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9232 1932.6 3.5 scans 67% 204 m/z 0.63% 0.0345% 1315 1.6 192 157060 2177814 2057455 1-2 16: 204 159 217 205 147 206 129 218 219 189 191 160 243 291 305 203 0.979 19.91 0.9 95 94 95 96 361 9.0 0.221 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2841 1961.6 3.4 scans 64% 204 m/z 0.74% 0.0280% 1349 1.9 177 133650 1768934 1637511 2-2 17: 204 73 191 205 147 217 206 192 218 133 189 193 103 219 435 305 291 0.993 20.41 -10.4 91 90 90 91 217 40.5 5.254 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7955 2002.8 3.7 scans 89% 75 m/z 0.30% 0.254% 1398 1.3 511 322896 0.282% 16049157 14705739 17771905 0-3 20: 75 73 79 67 93 95 91 80 108 129 55 81 307 94 77 117 121 107 135 105 0.998 20.27 42.6 84 85 95 98 322 34.3 0.450 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1038 C16:0 21.1617 2033.6 3.8 scans 97% 313 m/z 0.032% 1.47% 1433 0.7 1221 3076594 92795874 89399897 1-3 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 269 116 1.000 20.62 45.3 94 99 99 100 328 137.8 1.275 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6804 2077.2 3.9 scans 75% 305 m/z 0.58% 0.0867% 1482 1.7 288 170386 5468138 5340098 1-1 19: 305 217 318 147 191 306 265 319 204 218 307 320 433 432 148 192 291 367 133 0.993 21.75 -5.7 97 96 95 96 507 18.5 0.414 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9866 2103.0 4.0 scans 44% 327 m/z 1.2% 0.0421% 1511 1.6 199 77284 2658649 2401930 2-7 11: 327 117 132 129 145 328 342 329 283 343 313 0.857 22.33 -30.0 92 96 88 96 342 25.1 1.591 -0.343 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1924 2208.7 6.6 scans 93% TIC 0.038% 4.36% 1626 0.2 1528 2580595 275330289 242906259 5-9 0.988 23.12 6.9 96 96 97 95 350 108.9 0.508 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1036 C18:0 23.4344 2230.8 4.9 scans 86% 341 m/z 0.15% 0.428% 1649 1.3 590 655105 27007410 25555183 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 69 343 131 201 74 297 83 0.989 22.89 49.0 92 99 97 99 356 73.6 1.554 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1006 Androsterone 24.0131 2283.7 9.2 scans 91% TIC 0.014% 5.31% 1704 0.4 1580 7009459 6.36% 334695788 324876615 400813173 1-0 1.000 23.89 11.3 84 76 79 99 345 101.4 0.413 0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1010 Epitestosterone 24.0689 2288.8 >4 scans 89% 143 m/z 0.034% 1.23% 1709 0.8 1168 2888187 6.28% 77762301 72665635 395771498 0-1 20: 143 73 135 75 144 80 107 93 81 157 121 187 145 255 105 119 159 95 134 175 1.000 23.96 9.9 91 88 95 95 360 82.5 0.500 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1012 Androsterone 24.23min 24.3046 2310.8 >14 scans 77% 143 m/z 0.013% 4.29% 1731 0.0 1182 7582393 6.94% 270971653 270971653 437365317 0-0 2: 143 292 0.999 24.23 7.0 96 94 97 98 362 94.7 0.646 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1014 Androsterone 24.3min 24.3782 2317.8 >14 scans 95% 73 m/z 0.011% 6.85% 1738 0.5 1491 8388096 9.45% 432125916 431732159 595547875 1-0 8: 73 93 115 97 139 103 71 70 1.000 24.27 9.9 94 92 95 94 362 123.1 0.683 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1016 Androsterone 24.5min 24.5971 2338.6 3.3 scans 92% 143 m/z 0.022% 1.05% 1759 0.5 1055 4349264 1.32% 66245932 64520019 83187640 1-5 20: 143 73 144 300 75 284 180 93 79 315 145 91 55 105 81 107 67 179 119 77 0.993 24.52 7.6 82 74 79 97 362 0.0 0.000 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1018 myo-Inositol 25.2295 2398.7 3.3 scans 69% 318 m/z 0.44% 0.102% 1819 1.3 338 224866 0.125% 6472507 5565104 7877617 14-9 18: 318 315 299 147 387 319 316 389 320 300 191 388 317 301 433 343 432 148 0.969 25.21 1.9 96 94 94 100 470 23.1 0.470 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6482 2440.1 3.2 scans 41% 91 m/z 0.46% 0.0281% 1859 1.3 184 214773 0.0383% 1771280 1646845 2413702 5-3 15: 91 117 194 207 92 208 115 193 312 65 104 51 118 178 102 0.982 25.61 3.8 96 97 96 97 312 21.7 1.399 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1024 Steroid 26.19min 2494 26.2732 2502.1 4.7 scans 94% 143 m/z 0.012% 3.18% 1919 0.3 1662 8018938 200849403 192109381 1-1 20: 143 73 192 177 191 75 144 81 156 169 155 272 69 95 170 109 122 123 149 257 0.999 26.19 8.0 92 87 95 99 347 72.1 0.189 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5742 2533.2 3.3 scans 15% 512 m/z 2.3% 0.0177% 1947 1.4 143 43052 1119149 1035306 1-3 15: 512 455 247 513 456 483 514 248 457 349 497 484 423 515 498 0.929 26.57 0.1 92 93 76 94 512 52.9 13.698 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9445 2571.4 3.2 scans 81% 371 m/z 0.048% 0.547% 1982 0.9 818 2069025 34523812 33464018 1-2 17: 371 372 147 57 129 205 203 239 373 459 71 55 116 145 101 117 85 0.999 26.39 56.8 90 97 97 99 459 101.4 1.538 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN LQC1-N1010 Sucrose 27.4338 2622.7 3.2 scans 42% 361 m/z 0.28% 0.107% 2029 1.1 362 355506 0.110% 6762527 6442300 6932303 0-8 11: 361 362 437 363 271 451 438 439 452 364 272 0.766 27.58 -15.5 97 97 89 98 437 62.5 2.976 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1030 C18:0-2-glycerol 28.6891 2759.7 >3 scans 60% TIC 1.2% 0.0303% 2148 0.8 257 78208 0.310% 1911640 1911640 19536491 0-0 0.980 28.67 2.4 91 91 87 92 457 41.8 2.649 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7406 2765.5 3.3 scans 87% TIC 0.080% 0.363% 2153 0.9 654 1240683 0.400% 22927689 20557438 25208376 0-4 0.995 28.19 61.6 89 98 98 99 487 81.3 1.548 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1034 Nonacosane 29.5340 2854.8 3.7 scans 87% 57 m/z 0.085% 0.370% 2229 0.8 624 1165654 23371282 22351471 1-6 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 141 84 393 155 366 58 0.998 29.50 3.3 93 89 97 99 408 22.4 0.128 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8518 2890.5 3.6 scans 86% 57 m/z 0.12% 0.228% 2259 1.0 503 798535 14400611 14181890 0-3 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 155 112 72 58 0.998 29.83 2.8 96 93 99 100 408 31.3 0.387 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4357 2959.3 4.2 scans 37% 193 m/z (204) 0.80% 0.0692% 2314 1.8 247 123637 4364729 4203243 1-1 16: 193 119 105 163 427 120 176 194 515 247 428 325 106 516 164 412 0.944 30.36 9.2 81 83 78 83 529 10.7 0.188 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4989 2966.8 3.5 scans 91% 57 m/z 0.046% 0.682% 2320 0.6 857 2131412 0.697% 42998923 41475961 43925595 3-1 20: 57 71 85 393 56 55 69 99 83 97 70 392 113 394 127 111 141 84 155 58 0.999 30.46 4.2 98 95 98 100 393 203.3 5.631 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2407 3054.9 3.7 scans 90% 57 m/z 0.050% 0.660% 2391 0.6 843 1962586 41654565 41072013 0-6 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 141 84 155 98 421 394 0.999 31.21 3.4 96 94 98 100 393 127.3 2.285 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1048 Hentriacontane 31.5553 3092.3 3.7 scans 91% TIC 0.035% 0.998% 2421 0.4 999 2806298 62906301 56609259 6-3 0.999 31.53 2.8 100 99 100 99 436 58.6 0.344 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8362 3125.7 3.2 scans 78% 502 m/z 0.087% 0.268% 2447 0.8 569 1149002 16899152 16416572 1-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 239 74 505 193 0.982 31.79 5.3 100 99 98 100 502 273.3 23.044 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9635 3140.8 4.2 scans 67% 329 m/z 0.40% 0.253% 2459 1.1 494 245319 15954041 14556121 3-1 16: 329 129 368 458 353 95 330 107 119 121 105 145 328 369 91 93 0.985 31.87 11.4 96 94 94 98 458 72.0 2.124 0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1266 3160.2 3.5 scans 48% 57 m/z (487) 0.14% 0.223% 2475 0.8 485 702711 0.287% 14102679 13215062 18087010 0-3 18: 57 71 85 56 421 83 99 97 70 420 422 127 111 84 141 58 393 125 0.987 32.11 2.0 95 95 98 99 421 106.2 4.801 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN WTF2-N1004 Campesterol 32.7958 3239.6 4.2 scans 29% 343 m/z 0.83% 0.102% 2538 1.0 315 119916 6457240 5686251 1-6 14: 343 382 472 367 344 383 107 121 342 119 473 255 457 161 0.925 32.21 69.5 81 94 78 95 472 49.3 2.448 0.586 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1046 Stigmasterol 33.0115 3265.3 3.8 scans 88% 83 m/z (421) 0.088% 1.20% 2559 0.5 1098 1127135 75940724 71542077 1-1 19: 83 129 55 255 394 69 484 81 75 133 159 119 105 107 145 355 93 351 91 1.000 32.98 3.5 93 92 97 98 665 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1125 3277.3 3.7 scans 48% 57 m/z 0.084% 0.361% 2569 1.0 633 1178844 0.720% 22771094 21703720 45375076 2-2 20: 57 71 55 99 83 69 97 56 70 127 111 84 141 98 155 112 82 126 125 58 0.932 33.10 1.9 82 83 94 90 515 10.1 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.4155 3313.2 4.3 scans 58% TIC 0.24% 0.189% 2597 1.4 560 407208 0.424% 11918123 11918123 26720878 0-0 0.992 33.38 4.3 87 86 70 87 529 97.8 3.053 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9090 3371.9 4.2 scans 2.5% 441 m/z 1.2% 0.00921% 2644 1.4 92 80189 0.0122% 581001 581001 768855 0-0 4: 441 442 646 308 0.958 33.80 13.5 89 90 55 92 646 20.7 5.045 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6077 3454.8 4.4 scans 16% 596 m/z 0.51% 0.111% 2711 1.1 312 194666 7046966 6369782 1-4 8: 596 597 598 316 599 318 356 300 0.574 34.47 16.1 89 85 52 99 596 112.5 12.999 0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN EXBLK5S-N1006 Contamination 6.3730 1048.4 2.1 scans 65% 207 m/z 0.80% 0.0143% 27 1.4 159 123547 0.0203% 711928 711928 1007044 0-0 18: 207 73 295 208 209 296 191 297 279 74 193 189 177 192 210 247 119 298 0.944 6.63 -14.9 97 97 89 97 295 50.5 10.097 -0.252 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8734 1137.3 >5 scans 48% TIC 3.9% 0.00202% 170 2.2 68 25053 0.122% 100446 100446 6052185 0-0 0.954 7.79 4.7 87 89 81 91 219 8.9 1.742 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1192 Contamination 8.0334 1146.8 2.2 scans 95% 147 m/z 0.16% 0.163% 185 1.0 466 623632 8130794 7160336 21-1 20: 147 73 133 220 235 148 59 146 72 86 96 160 74 75 89 100 103 149 134 131 0.998 7.99 2.6 95 93 93 97 235 91.0 3.813 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1026 Cadaverine NC 8.1354 1152.8 2.4 scans 90% 174 m/z 0.37% 0.0368% 195 1.0 224 264178 1826604 1813280 1-0 20: 174 73 175 216 86 142 59 100 176 160 130 217 74 131 172 87 143 231 144 218 0.993 7.74 23.6 95 94 92 99 216 52.2 5.430 0.399 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1188 Contamination 8.3164 1163.6 2.2 scans 77% 281 m/z 1.5% 0.0135% 212 1.0 145 66053 672113 672113 0-0 18: 281 147 369 282 283 370 371 265 148 207 249 149 251 191 266 284 193 133 0.920 8.41 -5.8 97 95 77 99 369 41.7 8.243 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1186 Phosphate 8.5521 1177.5 2.3 scans 95% 241 m/z 0.13% 0.0958% 234 1.1 363 728591 4756556 4593907 1-1 20: 241 242 133 73 211 163 243 256 135 195 98 59 89 147 137 119 121 164 212 134 1.000 8.56 -0.5 100 100 99 100 299 0.0 0.000 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1180 Benzoic acid 9.7158 1245.9 2.6 scans 41% 179 m/z 4.0% 0.00428% 345 1.1 71 24423 0.00450% 212649 194029 223236 4-1 8: 179 105 135 77 180 136 194 51 0.909 9.76 -2.6 93 92 86 96 194 11.8 2.731 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN VEN77_S6-N1002 Glycerol 10.0810 1267.3 5.9 scans 92% 299 m/z 0.011% 3.28% 380 0.3 1390 8450337 162729975 161404424 1-0 20: 299 73 300 314 133 283 207 315 211 193 191 135 74 225 75 131 59 115 208 119 0.981 10.09 -0.7 98 97 93 98 299 763.8 30.337 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LACTIC~1-N1034 Glycerol 10.0852 1267.5 3.2 scans 7.7% 147 m/z (299) 0.15% 0.191% 380 0.4 403 644765 9479208 9376609 3-0 20: 147 205 117 103 218 206 148 131 204 149 177 129 203 219 101 104 118 175 217 89 0.633 10.11 -1.5 82 93 57 93 293 28.6 0.504 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7017 1303.7 2.7 scans 73% 199 m/z 1.1% 0.0305% 439 0.9 187 86226 1514225 1437683 3-1 14: 199 75 117 145 132 129 200 131 118 76 61 201 155 119 0.974 10.73 -1.9 98 97 91 99 209 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0416 1324.2 2.4 scans 44% 184 m/z 5.8% 0.00358% 471 0.9 72 17007 177741 177741 1-0 10: 184 134 285 174 86 227 59 100 172 286 0.993 11.06 -1.3 91 92 82 92 285 23.1 10.393 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1162 Fumaric acid 11.3068 1340.1 2.4 scans 29% 245 m/z 10% 0.00109% 496 1.0 39 9728 0.00124% 54107 54107 61514 0-0 3: 245 246 143 0.943 11.39 -5.2 87 87 65 91 245 25.9 43.843 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4088 1346.3 3.0 scans 18% 57 m/z 0.37% 0.0518% 506 0.9 235 266165 0.0696% 2573023 2539627 3452722 1-0 19: 57 97 115 145 127 129 69 59 111 109 72 128 71 87 98 201 113 114 110 0.996 11.45 -2.2 92 92 88 93 145 68.5 8.489 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4593 1349.3 3.8 scans 95% 84 m/z 0.015% 1.49% 511 0.4 1139 6424777 74342584 71861711 1-1 20: 84 133 162 161 119 92 118 82 130 65 85 51 78 134 117 63 55 163 91 77 0.997 10.96 30.3 95 96 96 98 161 301.8 7.035 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1146 Malic acid 13.4722 1473.8 2.5 scans 94% 73 m/z 0.14% 0.148% 702 1.0 448 712418 7357803 7148719 1-1 20: 73 147 233 245 133 189 148 190 75 74 175 191 149 55 101 335 234 59 217 265 0.998 13.62 -9.0 99 98 97 98 350 11.2 0.062 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9678 1505.2 2.9 scans 36% 156 m/z (139) 3.9% 0.00304% 749 1.1 59 25185 150909 150909 1-0 4: 156 157 258 230 1.000 14.11 -9.5 87 89 83 90 273 0.0 0.000 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2824 1526.1 2.5 scans 64% 263 m/z 0.65% 0.0196% 779 1.0 162 153658 974414 944731 1-1 15: 263 264 278 447 265 448 279 175 449 247 335 207 280 191 149 0.993 14.33 -2.9 81 74 82 97 278 40.2 6.138 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6843 1552.7 >3 scans 74% TIC 1.6% 0.00824% 817 1.7 107 62349 0.0968% 409211 409211 4802062 0-0 0.995 14.16 34.4 90 92 89 95 250 20.7 3.738 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1044 Dodecanol 14.7338 1556.0 2.6 scans 70% 243 m/z 1.3% 0.0143% 822 1.0 133 73931 710793 667250 1-1 12: 243 244 103 89 83 97 245 101 61 115 76 241 0.991 14.24 32.6 93 95 90 97 243 71.4 28.949 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1953 1655.4 2.8 scans 47% 290 m/z (195) 1.1% 0.0133% 961 1.8 114 84810 664511 632533 1-4 9: 290 291 292 392 158 144 115 293 393 0.979 16.28 -5.7 95 97 87 97 392 17.5 2.370 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5467 1679.8 2.9 scans 69% TIC 1.7% 0.0103% 994 1.2 137 55832 0.0455% 513543 513543 2257168 0-0 0.981 16.63 -5.6 93 93 93 92 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1010 Glycerol-P 17.4884 1747.5 2.9 scans 98% 357 m/z 0.037% 1.37% 1084 0.5 1243 2696573 68392219 67941879 0-1 20: 357 299 73 358 315 147 300 445 370 359 211 301 387 103 101 256 133 129 218 328 1.000 16.97 38.0 96 99 99 99 445 196.5 2.500 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN TAB_REP6-N1048 Citric acid 18.2460 1803.0 2.8 scans 28% 273 m/z 5.7% 0.00480% 1156 1.1 76 17433 238391 238391 1-0 11: 273 363 274 375 347 465 275 211 156 364 221 0.720 18.24 0.2 83 85 54 90 465 12.4 2.638 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4364 1817.5 4.2 scans 91% 73 m/z (310) 0.031% 2.14% 1174 0.5 1281 3189731 106210165 103920994 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 327 133 66 77 90 213 0.999 17.91 39.3 93 99 98 99 327 122.1 0.911 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1012 Phytol 18.5753 1828.1 3.4 scans 97% 68 m/z 0.058% 1.28% 1187 0.5 1122 1720276 1.49% 63535670 62172454 73916036 4-0 20: 68 95 82 69 57 123 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 40.0 94 98 99 99 278 65.3 0.339 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1016 Hexadecene 18.6374 1832.8 2.9 scans 89% TIC 0.23% 0.168% 1193 1.2 434 423530 3.46% 8374719 7709826 171643949 0-1 0.995 18.10 40.4 85 85 93 97 280 62.5 2.077 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6595 1834.5 2.8 scans 45% 285 m/z (70) 1.4% 0.0257% 1195 1.2 174 71330 1277775 1211723 1-4 15: 285 117 132 129 145 286 118 287 300 201 116 61 130 241 257 0.941 18.73 -5.2 94 95 83 96 300 17.3 0.992 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1002 Phytol 18.8min 18.8636 1850.1 2.8 scans 92% 81 m/z 0.36% 0.190% 1214 1.1 462 276951 9445990 8721683 1-3 20: 81 82 68 95 57 123 69 55 83 67 79 71 96 97 124 109 53 111 56 110 0.990 18.84 1.8 98 97 99 98 278 52.4 1.285 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1072 Fructose 18.9531 1856.9 2.7 scans 84% 73 m/z 0.40% 0.0682% 1223 1.0 288 249195 3385312 3200602 1-2 20: 73 103 307 217 147 308 218 133 277 104 74 309 189 205 117 364 89 148 219 172 0.996 19.03 -6.1 95 94 95 94 364 27.1 0.880 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1070 Fructose 19.0720 1866.0 2.8 scans 70% 73 m/z 0.55% 0.0493% 1234 1.3 240 179377 2446900 2292748 1-3 20: 73 103 307 217 147 308 218 277 309 104 205 74 364 89 262 133 117 189 148 219 0.995 19.19 -9.3 89 88 90 88 554 10.3 0.182 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1109 1868.9 2.9 scans 94% 81 m/z 0.16% 0.399% 1238 0.8 679 598279 19824525 19006230 1-2 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 40.5 92 95 98 99 278 90.9 1.791 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN BRA4_R~2-N1004 Galactose 19.2729 1881.3 2.8 scans 80% 73 m/z 0.56% 0.0570% 1253 1.1 254 176946 0.0933% 2828828 2623027 4628434 12-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 229 207 161 133 148 189 157 129 0.992 19.36 -6.8 96 95 94 98 364 14.8 0.339 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9284 1933.0 3.4 scans 75% 204 m/z 0.47% 0.0567% 1316 1.5 228 212472 0.0582% 2816526 2542281 2887190 6-2 16: 204 217 159 205 147 206 129 218 103 160 189 191 219 305 291 243 0.998 19.91 1.3 97 95 95 98 361 9.9 0.191 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8039 2003.5 3.4 scans 93% TIC 0.19% 0.455% 1399 1.0 665 503872 0.495% 22609788 20963269 24555998 0-5 0.999 20.27 43.3 82 82 94 98 322 45.8 0.475 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1038 C16:0 21.1722 2034.5 3.4 scans 98% 313 m/z 0.026% 2.05% 1434 0.4 1385 3737550 101797615 99410900 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 118 133 57 201 69 74 315 285 116 1.000 20.62 46.2 94 99 99 100 328 157.6 1.297 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6804 2077.2 3.4 scans 58% 305 m/z 1.4% 0.0400% 1482 1.4 195 69986 1985517 1882305 3-1 19: 305 217 318 147 191 306 265 319 307 218 432 433 367 320 148 219 291 266 192 0.986 21.75 -5.7 95 95 92 95 507 12.1 0.389 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9813 2102.6 3.4 scans 67% 327 m/z 0.96% 0.0708% 1511 1.3 257 103363 0.0735% 3512797 3314749 3646194 1-3 12: 327 117 132 129 145 328 118 329 146 283 299 185 0.888 22.33 -30.4 91 93 91 98 342 28.5 1.226 -0.349 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2113 2210.5 6.9 scans 92% TIC 0.036% 5.63% 1628 0.2 1639 2705371 6.16% 279576396 250990212 305585759 0-7 0.995 23.12 8.7 97 97 98 96 350 119.1 0.528 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1036 C18:0 23.4302 2230.5 3.6 scans 88% 341 m/z 0.12% 0.477% 1648 1.1 661 813571 23673716 22707234 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 201 74 297 116 0.990 22.89 48.7 93 99 97 99 356 84.6 1.637 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1004 Prostaglandin 23.7921 2263.5 4.2 scans 57% 73 m/z (95) 0.69% 0.107% 1683 0.7 278 143245 1.95% 5339421 5156688 96735751 1-1 19: 73 169 231 156 147 195 181 81 170 182 317 221 183 360 235 232 157 345 209 0.990 23.76 3.1 93 95 93 95 360 24.2 0.757 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1010 Epitestosterone 24.0341 2285.7 3.8 scans 95% 143 m/z 0.037% 1.35% 1706 0.8 1141 2640129 5.01% 67053720 65352289 248536469 0-1 20: 143 73 135 75 144 80 93 107 157 81 121 255 187 145 105 119 159 134 95 175 1.000 23.96 6.8 91 88 95 95 360 76.8 0.453 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1012 Androsterone 24.23min 24.3045 2310.8 >11 scans 70% 143 m/z 0.012% 4.36% 1731 1.2 1165 8102506 5.00% 216468462 208509800 248040388 2-0 1: 143 0.999 24.23 7.0 99 98 98 99 362 88.2 0.577 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1014 Androsterone 24.3min 24.3803 2318.0 11.1 scans 95% 143 m/z 0.012% 2.36% 1739 0.8 1607 7873278 7.61% 117559519 110469768 377517471 0-1 20: 143 73 144 75 156 81 145 69 95 272 109 155 55 219 93 74 115 67 107 130 1.000 24.27 10.1 92 91 94 93 362 123.6 0.593 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1016 Androsterone 24.5min 24.5729 2336.3 3.0 scans 92% 143 m/z 0.039% 0.644% 1757 0.7 821 2547780 31961697 30384278 1-5 20: 143 73 144 300 75 284 180 93 145 79 315 91 55 81 107 67 105 179 119 77 0.993 24.52 5.3 83 76 80 99 362 44.1 0.000 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1018 myo-Inositol 25.2315 2398.9 3.8 scans 71% TIC 0.52% 0.103% 1820 1.3 324 191875 0.221% 5140932 5140932 10963385 0-0 0.952 25.21 2.1 97 95 94 100 470 22.9 0.497 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6461 2439.9 3.5 scans 45% 91 m/z 0.63% 0.0286% 1859 1.4 161 157924 1423521 1287971 3-3 16: 91 117 194 207 92 208 115 65 312 193 104 51 118 178 102 63 0.978 25.61 3.6 96 96 94 96 312 19.9 1.519 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1024 Steroid 26.19min 2494 26.2437 2499.1 3.2 scans 95% 143 m/z 0.021% 1.56% 1916 0.6 1254 4704725 77455961 74115374 1-1 20: 143 73 192 177 75 81 144 191 156 169 69 95 155 170 272 109 123 122 145 55 0.999 26.19 5.0 93 89 96 99 347 48.3 0.149 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3195 2506.9 3.7 scans 33% 204 m/z 0.76% 0.0243% 1923 1.2 171 131325 0.149% 1206764 1206764 7391604 0-0 12: 204 217 205 147 219 206 218 305 101 306 307 220 0.935 25.86 46.2 84 91 87 96 361 8.8 0.000 0.464 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5784 2533.6 3.2 scans 33% 512 m/z (218) 1.3% 0.0317% 1948 1.1 177 72597 1574521 1573576 0-1 18: 512 455 247 513 456 483 514 349 248 263 457 497 484 423 498 235 424 234 0.934 26.57 0.5 94 96 87 96 512 57.6 10.606 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9519 2572.2 3.0 scans 90% 371 m/z 0.035% 0.873% 1983 0.8 986 2819314 43314545 41502608 1-2 20: 371 372 73 147 129 57 205 203 239 373 459 55 71 103 116 75 145 117 101 85 1.000 26.39 57.6 90 97 97 100 459 122.9 1.559 0.558 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1010 Sucrose 27.4390 2623.3 3.2 scans 56% 361 m/z 0.26% 0.139% 2029 1.1 378 373427 6902325 6299496 1-5 12: 361 362 437 363 271 451 169 438 439 452 364 272 0.915 27.58 -14.9 99 98 94 99 437 67.3 3.169 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1014 Sucrose 27.4390 2623.3 3.2 scans 54% 361 m/z (143) 0.26% 0.142% 2029 1.1 371 372821 7082089 6463559 1-5 12: 361 362 437 363 271 451 169 438 439 452 364 272 0.977 27.49 -5.4 96 97 93 99 437 67.2 3.272 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN LQC1-N1008 Sucrose 27.4390 2623.3 3.2 scans 53% 361 m/z (143 662) 0.26% 0.138% 2029 1.1 366 372169 6886906 6285423 1-5 12: 361 362 437 363 271 451 169 438 439 452 364 272 0.963 27.59 -16.2 94 97 93 98 437 68.2 3.466 -0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7490 2766.5 3.2 scans 91% 399 m/z 0.060% 0.579% 2154 0.9 778 1662971 28757187 27889113 1-1 20: 399 400 73 147 129 57 205 203 103 401 487 55 71 116 145 75 101 117 267 85 0.998 28.19 62.6 89 98 98 100 487 98.0 1.587 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1034 Nonacosane 29.5392 2855.4 3.1 scans 89% 57 m/z 0.078% 0.427% 2229 0.8 679 1280455 21201606 20618717 1-1 20: 57 71 85 55 99 69 56 83 365 97 113 70 127 111 84 141 393 155 366 98 0.999 29.50 3.9 93 90 97 98 408 24.9 0.135 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8570 2891.1 3.3 scans 84% 57 m/z 0.14% 0.224% 2259 1.0 482 687598 11153623 10894737 0-3 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 112 58 155 72 0.997 29.83 3.4 96 93 99 100 408 30.3 0.394 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4431 2960.2 3.7 scans 51% 193 m/z (204) 0.72% 0.101% 2315 1.4 287 137591 5026079 4698921 2-2 15: 193 119 105 163 427 120 194 176 171 515 247 428 411 325 106 0.984 30.36 10.1 86 88 87 88 529 12.0 0.176 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.5051 2967.6 3.2 scans 94% TIC 0.046% 0.770% 2321 0.5 895 2156663 0.879% 38246182 38246182 43605500 0-0 1.000 30.46 5.0 98 95 98 100 393 211.4 5.579 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2417 3055.1 3.3 scans 88% 57 m/z 0.059% 0.622% 2391 0.7 792 1677397 30862754 29803270 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 421 98 394 0.998 31.21 3.6 98 96 99 100 393 121.5 2.354 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1048 Hentriacontane 31.5500 3091.7 3.2 scans 86% 57 m/z 0.048% 0.732% 2420 0.6 871 2058685 36322929 35214299 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.998 31.53 2.2 100 99 100 100 436 50.4 0.335 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8383 3125.9 3.0 scans 73% 502 m/z 0.11% 0.244% 2447 0.9 516 886704 12116795 11530088 1-1 17: 502 237 503 73 236 238 504 57 277 221 223 239 74 208 505 193 278 0.992 31.79 5.5 99 98 97 100 502 247.4 23.023 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9698 3141.5 3.5 scans 75% 329 m/z 0.29% 0.369% 2460 0.9 601 337447 18354831 16960426 2-1 14: 329 129 368 458 353 95 107 330 121 145 105 369 328 159 0.997 31.87 12.1 97 95 95 98 458 88.1 2.147 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1329 3160.9 3.4 scans 49% 57 m/z (199) 0.18% 0.194% 2475 0.9 428 530193 0.276% 9668549 9105543 13691829 2-1 19: 57 71 56 85 421 55 83 99 97 70 420 422 111 127 84 141 58 393 86 0.987 32.11 2.7 96 97 99 99 421 94.2 4.860 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1004 Campesterol 32.8021 3240.4 3.7 scans 38% 343 m/z 0.57% 0.174% 2539 1.0 398 173824 8659526 8249501 1-2 13: 343 382 472 367 344 383 342 121 107 145 119 255 120 0.844 32.21 70.3 82 95 81 96 472 61.9 2.417 0.592 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN QC1-N1046 Stigmasterol 33.0220 3266.5 3.9 scans 84% 83 m/z 0.078% 1.55% 2560 0.5 1161 1281597 77066555 72043962 2-1 19: 83 129 55 255 69 394 81 484 133 75 159 119 107 145 105 93 97 95 355 0.994 32.98 4.7 97 96 98 98 665 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.4155 3313.2 >5 scans 19% TIC 1.6% 0.00909% 2597 1.3 217 61863 0.0293% 451036 451036 1453517 0-0 0.934 33.38 4.3 81 81 58 82 529 39.6 3.328 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN WTF2-N1034 b-Sitosterol 33.4923 3322.4 3.8 scans 42% 357 m/z 0.59% 0.191% 2605 0.8 411 168386 9499121 9237718 1-1 10: 357 396 486 381 358 397 356 487 471 255 0.931 32.88 73.1 83 98 94 98 486 58.2 2.002 0.615 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9153 3372.6 4.1 scans 4.1% 441 m/z 1.3% 0.0111% 2645 1.3 91 72738 0.0118% 553087 523520 585375 1-5 5: 441 442 646 443 647 0.989 33.80 14.2 90 92 57 92 646 19.9 4.757 0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6140 3455.6 4.1 scans 22% 596 m/z 0.41% 0.129% 2711 0.9 322 242083 6425641 6152415 1-2 9: 596 597 598 331 316 599 318 356 300 0.804 34.47 16.9 90 87 60 99 596 129.3 16.118 0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN EXBLK5S-N1006 Contamination 6.3615 1047.7 2.0 scans 69% 207 m/z 0.54% 0.0270% 26 1.1 200 187815 1322216 1319571 1-0 18: 207 73 295 208 209 296 191 297 74 279 193 210 189 177 192 247 119 163 0.866 6.63 -15.6 98 97 93 97 295 57.5 8.218 -0.263 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1192 Contamination 8.0955 1150.5 2.6 scans 91% TIC 0.23% 0.126% 191 1.7 351 434955 0.178% 6183485 5888853 8691581 2-3 0.996 7.99 6.3 95 94 96 95 235 70.3 4.001 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1026 Cadaverine NC 8.1218 1152.0 2.5 scans 47% 174 m/z (147) 0.63% 0.0247% 193 0.9 153 161351 0.0282% 1210353 1058160 1376981 5-1 11: 174 175 216 142 176 217 143 231 218 158 177 0.847 7.74 22.8 85 87 68 96 216 39.4 6.588 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1188 Contamination 8.3060 1162.9 2.2 scans 79% 281 m/z 1.5% 0.0127% 211 1.0 130 65451 624955 624955 0-0 18: 281 147 369 282 283 370 371 265 148 207 249 149 191 267 251 284 193 266 0.998 8.41 -6.5 98 97 83 99 369 38.5 8.755 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1186 Phosphate 8.6100 1181.0 2.1 scans 98% 241 m/z 0.027% 0.456% 240 0.8 773 3706166 22267815 21678504 1-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 137 75 181 212 134 1.000 8.56 3.0 100 99 99 100 299 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1180 Benzoic acid 9.7475 1247.8 2.5 scans 54% 179 m/z 5.7% 0.00279% 348 1.0 58 17950 136453 136384 1-0 7: 179 105 135 77 180 194 51 0.991 9.76 -0.7 95 95 86 96 194 9.5 2.667 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN VEN77_S6-N1002 Glycerol 10.0905 1267.8 4.5 scans 91% 299 m/z 0.013% 2.09% 381 0.4 1170 7460868 102417674 102364783 1-0 20: 299 73 300 314 301 133 207 283 315 211 193 191 74 316 135 75 59 131 225 115 0.965 10.09 -0.2 99 98 95 99 299 671.8 33.122 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7165 1304.6 2.6 scans 79% 199 m/z 1.0% 0.0338% 440 0.8 188 95903 1652248 1421823 6-1 16: 199 75 117 73 145 132 200 129 131 79 61 74 76 118 201 72 0.974 10.73 -1.0 95 94 92 99 209 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0480 1324.6 2.7 scans 85% TIC 1.1% 0.0285% 472 0.8 167 88196 0.0338% 1393646 1393646 1650424 0-0 0.980 11.06 -0.9 99 98 95 99 285 50.0 8.902 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1162 Fumaric acid 11.3121 1340.5 2.4 scans 31% 245 m/z (84) 9.0% 0.00206% 497 1.1 49 11377 100741 100741 0-0 3: 245 246 141 0.948 11.39 -4.8 85 88 66 90 245 26.2 29.007 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4152 1346.7 3.0 scans 22% 57 m/z (84) 0.48% 0.0683% 507 0.7 208 210649 0.0700% 3338829 2929682 3418037 4-3 18: 57 97 115 145 127 129 69 59 111 109 128 72 98 87 114 201 113 96 0.960 11.45 -1.8 94 96 94 98 145 63.5 9.283 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4531 1349.0 3.2 scans 96% 84 m/z 0.025% 0.779% 510 0.6 831 4044711 38053544 37426144 1-2 20: 84 133 161 162 119 92 118 85 82 65 51 130 78 134 117 63 55 91 120 77 0.996 10.96 30.0 96 97 97 98 161 219.7 7.005 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN TAB_REP6-N1026 Malic acid 13.4691 1473.6 2.6 scans 96% TIC 0.11% 0.200% 702 1.0 463 868064 9783876 9534777 1-1 1.000 13.53 -4.0 100 98 98 99 335 56.2 1.470 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1146 Malic acid 13.4691 1473.6 2.5 scans 96% 73 m/z 0.11% 0.195% 702 1.0 463 872356 9563167 9549757 1-0 20: 73 147 233 245 133 189 148 190 75 74 175 191 335 101 55 149 234 217 59 307 1.000 13.62 -9.2 100 99 98 99 350 10.2 0.049 -0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1044 Dodecanol 14.7265 1555.5 2.7 scans 77% 243 m/z 1.0% 0.0191% 821 1.0 145 101712 935452 890487 1-2 14: 243 75 244 103 89 97 83 245 61 101 76 115 111 104 0.976 14.24 32.1 94 96 94 98 243 78.4 29.310 0.484 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 2.8 scans 49% 290 m/z 1.1% 0.0129% 960 1.8 106 93138 633164 602613 1-2 8: 290 291 292 392 158 144 115 393 0.726 16.28 -6.3 92 91 65 98 392 16.7 2.466 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5405 1679.4 3.0 scans 82% 55 m/z 0.87% 0.0508% 994 1.2 188 116906 0.0557% 2484502 1798873 2719781 7-7 18: 55 83 69 56 70 97 111 84 82 98 127 68 113 140 96 125 54 67 0.976 16.63 -6.0 95 95 92 94 210 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1010 Glycerol-P 17.4695 1746.2 2.5 scans 97% 357 m/z 0.054% 0.832% 1082 0.7 962 1882871 40649370 40649370 0-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 387 129 256 218 328 1.000 16.97 36.7 96 99 99 99 445 153.7 2.552 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5464 1751.8 2.6 scans 57% 217 m/z 1.4% 0.0139% 1089 1.1 125 69445 0.0724% 682783 682783 3535227 0-0 8: 217 218 219 191 305 232 257 203 0.979 17.63 -6.2 84 83 75 85 450 17.4 1.922 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1086 Fructofuranose 18.1693 1797.2 >3 scans 66% TIC 1.9% 0.0126% 1148 1.4 124 53995 0.0645% 618663 618663 3149477 0-0 0.982 18.13 2.6 85 83 82 88 437 29.2 5.559 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4260 1816.7 4.0 scans 89% 312 m/z (310) 0.028% 2.27% 1173 0.5 1255 3623136 111017030 109821827 0-1 20: 312 73 76 135 120 119 132 149 50 136 62 74 118 78 58 327 133 66 90 213 0.999 17.91 38.5 93 99 98 99 327 122.1 0.947 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1012 Phytol 18.5628 1827.1 2.9 scans 97% 68 m/z 0.069% 1.10% 1186 0.5 981 1475352 1.21% 54165632 50577492 59083220 12-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.0 94 98 99 99 278 58.8 0.359 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1016 Hexadecene 18.6228 1831.7 2.7 scans 86% 70 m/z 0.35% 0.111% 1191 1.1 335 290743 0.862% 5437271 5150699 42090690 0-1 20: 70 69 71 55 57 83 56 111 125 97 126 280 84 85 140 67 112 68 98 82 0.995 18.10 39.3 83 82 92 97 280 49.6 2.190 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6501 1833.8 2.8 scans 58% 285 m/z (70) 1.2% 0.0307% 1194 1.1 175 82999 0.289% 1500846 1441549 14111612 4-1 16: 285 117 132 129 286 145 118 300 287 201 116 61 241 257 130 146 0.958 18.73 -5.9 94 96 84 96 300 17.7 1.015 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1002 Phytol 18.8min 18.8521 1849.2 2.8 scans 92% 81 m/z 0.47% 0.152% 1213 1.1 384 216930 7431616 6635284 1-11 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 124 109 53 111 110 278 0.991 18.84 0.9 99 99 99 99 278 43.8 1.302 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1072 Fructose 18.9416 1856.0 2.8 scans 84% 73 m/z 0.44% 0.0651% 1222 0.9 262 229571 3182220 3091117 1-1 20: 73 103 307 217 147 308 277 218 133 205 309 74 189 104 364 117 89 172 219 148 0.994 19.03 -7.0 95 94 95 94 364 24.8 0.899 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0983 1868.0 3.1 scans 94% 81 m/z 0.24% 0.310% 1237 0.9 531 420587 15161378 14580555 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.6 93 96 98 99 278 71.9 1.829 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1068 Galactopyranose 19.2109 1876.6 2.8 scans 54% 204 m/z 1.3% 0.0131% 1247 1.3 116 76098 0.0308% 644498 580642 1503936 2-0 13: 204 191 205 206 192 331 218 189 193 203 305 215 219 0.992 19.32 -7.9 87 87 88 87 435 5.3 0.209 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN BRA4_R~2-N1004 Galactose 19.2614 1880.4 2.8 scans 72% 73 m/z 0.97% 0.0330% 1252 1.0 184 105750 0.0831% 1611883 1611883 4057699 0-0 20: 73 319 205 160 147 320 321 217 206 103 229 161 74 133 189 117 218 157 148 231 0.988 19.36 -7.7 94 92 91 95 364 11.8 0.410 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9212 1932.4 3.3 scans 86% TIC 0.26% 0.121% 1315 1.0 294 394733 0.128% 5950336 5015443 6250126 3-2 0.992 19.91 0.7 97 95 96 99 361 13.5 0.213 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2800 1961.3 2.9 scans 63% 204 m/z 0.83% 0.0263% 1349 1.1 162 122881 1286497 1147947 3-3 15: 204 73 191 205 147 217 192 206 193 218 189 305 148 207 203 0.992 20.41 -10.7 91 90 90 91 217 37.3 5.279 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7966 2002.9 3.3 scans 94% 75 m/z 0.19% 0.456% 1398 0.9 639 529606 0.476% 22296757 21532947 23242655 1-1 20: 75 73 79 67 93 95 91 108 80 129 55 81 94 117 307 121 77 135 107 145 1.000 20.27 42.7 82 82 94 97 322 43.2 0.458 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1038 C16:0 21.1617 2033.6 3.4 scans 98% 313 m/z 0.026% 2.10% 1433 0.4 1315 3893004 102882388 102749546 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 269 1.000 20.62 45.3 94 99 99 100 328 150.6 1.314 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6699 2076.3 3.4 scans 66% 305 m/z 1.0% 0.0559% 1481 1.0 217 94986 2729636 2605505 2-1 19: 305 217 318 147 191 306 319 265 218 204 307 432 320 367 433 219 148 291 192 0.978 21.75 -6.6 96 96 92 96 507 14.8 0.468 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9761 2102.1 3.3 scans 56% 327 m/z 1.0% 0.0598% 1510 1.2 222 94193 0.0615% 2923442 2654467 3002990 2-6 13: 327 117 132 129 145 328 342 329 118 299 116 283 89 0.764 22.33 -30.9 91 93 89 98 342 26.4 1.421 -0.354 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1945 2208.9 6.9 scans 94% 75 m/z 0.038% 5.69% 1626 0.2 1508 2659283 5.81% 278043525 262161963 283697112 4-2 20: 75 79 73 95 67 93 108 81 80 91 129 55 107 94 117 121 149 77 109 122 0.997 23.12 7.1 95 94 98 94 350 111.8 0.549 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1036 C18:0 23.4281 2230.3 3.5 scans 89% 341 m/z 0.11% 0.518% 1648 0.7 650 917073 25336967 24093860 2-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 74 201 297 83 0.994 22.89 48.5 92 99 97 99 356 84.6 1.692 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7333 2258.2 4.2 scans 21% 163 m/z 1.2% 0.0221% 1677 1.3 125 83889 0.0692% 1083335 1035961 3378974 5-6 5: 163 331 164 165 88 0.661 23.72 1.3 82 82 66 92 331 26.9 4.660 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1006 Androsterone 23.9753 2280.3 6.3 scans 91% TIC 0.016% 4.20% 1700 0.4 1392 6261311 5.60% 205122903 192368233 273442999 1-0 1.000 23.89 7.9 84 76 79 99 345 88.2 0.403 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1010 Epitestosterone 24.0332 2285.6 >4 scans 96% 143 m/z 0.034% 1.64% 1706 0.7 1146 3010187 6.13% 80443937 80443937 299322426 0-0 20: 143 73 135 75 144 80 93 107 255 81 121 157 187 145 159 134 105 119 95 175 1.000 23.96 6.7 90 87 95 94 360 78.5 0.470 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2941 2309.8 >13 scans 67% 143 m/z 0.012% 4.99% 1730 1.5 1063 8036823 5.51% 243947902 232543427 269048380 2-0 1: 143 0.988 24.23 6.0 98 97 97 99 362 80.4 0.576 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1014 Androsterone 24.3min 24.3867 2318.6 12.0 scans 100% 73 m/z 0.011% 3.19% 1739 0.5 1537 8982533 9.01% 156121286 156121286 439950254 0-0 20: 73 144 75 81 145 95 69 109 93 55 107 67 79 91 105 77 131 83 97 68 1.000 24.27 10.7 93 91 95 94 362 124.6 0.659 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1016 Androsterone 24.5min 24.5677 2335.8 3.1 scans 91% TIC 0.042% 0.721% 1756 0.6 763 2447505 0.893% 35246787 32761109 43604393 2-7 0.997 24.52 4.8 82 73 79 97 362 0.0 0.000 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1018 myo-Inositol 25.2179 2397.6 3.2 scans 73% TIC 0.54% 0.0893% 1818 1.2 300 189544 0.216% 4360815 4297767 10547087 1-1 0.970 25.21 0.8 97 95 96 100 470 20.6 0.473 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6378 2439.1 3.0 scans 51% 91 m/z 0.56% 0.0281% 1858 1.2 163 182269 1373716 1298262 3-3 15: 91 117 194 207 92 208 115 193 65 312 104 51 178 179 63 0.982 25.61 2.8 96 97 95 96 312 20.0 1.492 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1024 Steroid 26.19min 2494 26.2438 2499.1 3.5 scans 97% 143 m/z 0.015% 2.40% 1916 0.4 1399 6509817 117595813 117156518 1-0 20: 143 73 192 177 75 81 191 144 156 169 155 69 95 272 170 109 123 122 149 55 1.000 26.19 5.0 92 88 95 99 347 56.2 0.162 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3090 2505.8 2.9 scans 46% 204 m/z 0.46% 0.0350% 1922 1.1 215 222610 0.0924% 1709471 1709471 4511809 0-0 11: 204 217 205 147 219 206 218 305 101 220 293 0.968 25.86 45.1 85 89 92 98 361 10.5 0.237 0.453 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5626 2532.0 2.6 scans 33% 512 m/z 1.4% 0.0297% 1946 1.0 180 73028 1454753 1408320 1-1 16: 512 455 247 513 456 514 483 248 263 349 457 484 497 423 409 515 0.966 26.57 -1.1 94 94 79 94 512 63.4 12.351 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9404 2571.0 2.7 scans 90% 371 m/z 0.031% 0.905% 1982 0.7 980 3296106 44238472 42845440 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 71 103 55 116 145 75 101 117 85 1.000 26.39 56.4 90 98 97 99 459 125.3 1.639 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN LQC1-N1010 Sucrose 27.4212 2621.4 3.0 scans 40% 361 m/z 0.45% 0.0723% 2028 1.0 265 226157 3535084 3432900 0-3 10: 361 362 437 363 271 451 438 439 364 452 0.914 27.58 -16.8 98 98 89 98 437 49.5 3.497 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1028 Heptacosane 28.0452 2688.0 2.8 scans 58% 57 m/z 0.55% 0.0479% 2087 0.9 230 185258 2339806 2111922 5-1 18: 57 71 85 55 99 56 83 113 70 97 127 84 141 98 58 140 155 112 0.987 28.04 1.2 81 81 92 82 380 16.1 0.487 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7333 2764.7 2.8 scans 90% 399 m/z 0.053% 0.591% 2152 0.8 766 1916326 28858223 26675341 1-1 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 75 145 117 85 101 69 1.000 28.19 60.8 89 97 97 100 487 97.9 1.638 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN SQUALENE-N1017 Squalene STD 29.0900 2804.8 >3 scans 45% TIC 1.0% 0.0131% 2186 1.3 158 102200 0.0263% 640453 640453 1284206 0-0 0.980 29.09 -0.3 82 83 91 82 410 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1034 Nonacosane 29.5256 2853.8 3.0 scans 89% 57 m/z 0.094% 0.361% 2228 0.7 589 1092040 17664630 17656636 1-0 20: 57 71 85 55 99 69 56 83 365 97 113 70 127 111 141 84 393 155 364 366 0.999 29.50 2.3 93 90 97 98 408 22.5 0.146 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8434 2889.6 2.9 scans 86% 57 m/z 0.12% 0.240% 2258 0.8 494 798138 11721480 11468768 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 86 0.997 29.83 1.9 96 93 98 100 408 31.8 0.415 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4316 2958.9 >5 scans 70% TIC 0.39% 0.169% 2314 0.4 352 261574 0.660% 8264587 8009922 32227211 2-0 0.904 30.36 8.8 90 91 90 92 529 12.8 0.132 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4873 2965.5 3.0 scans 94% TIC 0.052% 0.675% 2319 0.6 799 1977010 0.851% 33006530 31859823 41553570 0-1 0.999 30.46 2.9 97 95 98 100 393 188.0 5.533 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2270 3053.3 3.2 scans 88% 57 m/z 0.073% 0.528% 2389 0.7 683 1399255 25794290 25460888 1-0 20: 57 71 85 55 99 69 393 56 83 97 113 70 127 111 141 84 394 421 155 392 0.995 31.21 1.8 98 95 99 100 393 106.9 2.452 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1048 Hentriacontane 31.5395 3090.4 3.1 scans 87% 57 m/z 0.046% 0.810% 2419 0.6 855 2209891 39565087 38247480 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 155 98 112 169 125 0.998 31.53 0.9 100 99 100 100 436 51.1 0.358 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6868 3107.9 6.8 scans 23% 204 m/z 1.1% 0.0124% 2433 0.9 136 85937 0.0792% 606812 569432 3867265 0-1 16: 204 217 205 597 73 337 103 598 338 129 206 218 599 147 191 203 0.877 31.68 1.3 89 91 84 91 597 17.7 1.695 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8289 3124.8 2.9 scans 81% 502 m/z 0.086% 0.310% 2447 0.8 545 1187400 15139892 14981625 1-0 15: 502 237 503 73 236 238 504 277 221 223 208 239 505 74 193 0.990 31.79 4.4 100 99 98 100 502 268.0 24.195 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9562 3139.9 3.1 scans 78% 329 m/z 0.31% 0.336% 2459 0.8 557 323079 16441916 15935845 1-1 17: 329 129 368 458 353 95 330 107 121 105 145 81 119 328 369 91 93 0.992 31.87 10.5 97 95 95 99 458 82.8 2.208 0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1182 3159.2 3.1 scans 45% 57 m/z 0.20% 0.140% 2474 0.9 394 505615 0.205% 6862351 6650377 10009967 0-1 20: 57 71 85 56 421 55 83 69 99 97 70 420 113 422 127 111 141 84 58 393 0.977 32.11 1.0 97 96 97 99 421 90.3 5.259 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1004 Campesterol 32.7853 3238.4 3.6 scans 32% 343 m/z 0.75% 0.143% 2538 0.9 333 135839 7014861 6855770 1-1 10: 343 382 472 367 344 383 342 473 457 255 0.941 32.21 68.3 81 94 81 95 472 52.4 2.469 0.575 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1046 Stigmasterol 33.0042 3264.4 3.6 scans 86% 83 m/z 0.10% 1.20% 2558 0.5 977 1027382 58753135 57133983 1-1 19: 83 129 255 55 69 81 75 133 159 119 105 145 355 107 93 351 97 95 91 0.992 32.98 2.6 96 95 97 97 665 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.0989 3275.6 3.2 scans 57% 57 m/z (421) 0.14% 0.259% 2567 1.0 470 695122 0.606% 12679541 12404157 29590439 1-2 20: 57 71 85 55 83 99 69 97 56 70 127 84 111 141 98 112 125 58 82 72 0.974 33.10 0.2 81 81 95 92 515 6.5 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3977 3311.1 3.5 scans 54% 217 m/z 0.42% 0.201% 2596 0.9 425 239515 0.432% 9839803 8440748 21094174 5-0 20: 217 361 95 199 437 73 529 203 273 169 362 113 161 438 71 103 218 145 530 200 0.975 33.38 2.2 86 85 67 86 529 73.2 2.973 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN WTF2-N1034 b-Sitosterol 33.4745 3320.3 3.5 scans 34% 357 m/z (421) 0.79% 0.144% 2603 0.9 332 129040 7041784 6631529 1-2 11: 357 396 486 381 358 397 356 487 255 471 120 0.967 32.88 71.0 81 96 93 96 486 48.7 2.150 0.598 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8954 3370.2 3.4 scans 3.3% 441 m/z 1.8% 0.00687% 2643 1.2 74 54847 0.00922% 335507 318745 450204 1-0 6: 441 442 646 308 443 647 0.991 33.80 11.8 88 88 53 91 646 15.8 4.585 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5856 3452.2 >15 scans 30% TIC 0.45% 0.0851% 2709 1.5 318 224375 0.223% 4157129 4157129 10888891 0-0 0.732 34.47 13.5 89 84 57 98 596 116.5 13.446 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN EXBLK5S-N1006 Contamination 6.3688 1048.1 1.9 scans 75% 207 m/z 0.54% 0.0224% 27 0.9 181 185160 1056120 1013538 1-1 16: 207 295 208 209 296 191 297 279 189 177 192 193 247 210 265 298 0.996 6.63 -15.2 97 96 87 97 295 58.1 10.308 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN BRA4_R~4-N1014 Lactic acid 6.8497 1076.6 >8 scans 21% 117 m/z (131) 10% 0.00490% 73 0.3 45 9364 0.0135% 231176 231176 635901 0-0 4: 117 147 190 191 0.945 6.82 1.7 91 95 87 95 295 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1192 Contamination 7.9797 1143.6 2.2 scans 97% 147 m/z 0.089% 0.281% 180 1.0 587 1132383 13267415 12986878 4-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 100 149 75 131 134 236 0.999 7.99 -0.6 97 96 97 97 235 120.6 4.213 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1026 Cadaverine NC 8.1260 1152.3 2.3 scans 80% 174 m/z 0.59% 0.0234% 194 1.0 167 170110 1106354 1069856 1-4 19: 174 73 175 216 86 142 59 176 100 160 130 217 131 87 143 144 101 158 231 0.994 7.74 23.1 96 95 91 98 216 40.7 5.949 0.390 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1188 Contamination 8.3070 1163.0 2.5 scans 74% TIC 2.4% 0.0104% 211 1.0 112 42240 491237 459109 0-2 0.902 8.41 -6.4 94 92 70 97 369 31.6 8.040 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1186 Phosphate 8.5121 1175.2 2.4 scans 97% 241 m/z 0.034% 0.420% 231 0.9 694 2947200 19786707 18653925 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 181 257 212 134 1.000 8.56 -2.8 100 99 99 100 299 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1180 Benzoic acid 9.6759 1243.6 2.5 scans 54% 179 m/z 4.8% 0.00354% 341 1.1 63 21117 166742 152816 1-3 8: 179 105 135 77 180 51 194 136 1.000 9.76 -4.9 96 96 88 96 194 9.9 2.505 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN VEN77_S6-N1002 Glycerol 10.0347 1264.6 4.5 scans 92% 300 m/z 0.015% 1.85% 375 0.4 1081 6701171 87300620 87290028 0-1 20: 300 314 301 283 315 211 193 316 135 284 181 137 195 269 285 209 121 194 212 151 0.957 10.09 -3.4 100 99 98 99 299 643.2 35.566 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LACTIC~1-N1034 Glycerol 10.0442 1265.1 2.2 scans 9.7% 147 m/z (299) 0.18% 0.134% 376 0.7 362 538048 6356765 5749421 4-0 20: 147 205 117 103 218 206 148 204 149 129 101 203 219 118 116 175 217 293 220 88 0.725 10.11 -3.9 86 92 58 91 293 26.9 0.551 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6692 1301.8 2.7 scans 74% 199 m/z 1.1% 0.0402% 436 1.1 191 88125 1897900 1651204 12-1 19: 199 75 73 117 145 132 129 200 131 81 74 76 118 61 201 96 72 155 54 0.789 10.73 -3.8 95 93 93 99 209 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0048 1322.0 2.5 scans 62% 184 m/z 7.2% 0.00480% 467 1.1 72 14094 226261 226261 1-0 10: 184 134 285 174 86 100 59 185 286 227 0.979 11.06 -3.5 86 86 69 89 285 20.4 8.033 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3804 1344.6 2.9 scans 21% 57 m/z 0.37% 0.0586% 503 1.0 230 273375 0.0670% 2760359 2502589 3155951 3-0 20: 57 115 97 145 127 129 69 111 109 59 128 72 71 58 98 87 201 113 114 110 0.998 11.45 -3.9 94 94 88 94 145 69.6 9.142 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4194 1346.9 3.4 scans 97% TIC 0.018% 1.20% 507 0.4 974 5364329 1.22% 56637504 54269894 57466565 2-0 0.995 10.96 27.9 96 97 96 98 161 257.7 7.004 0.463 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN TAB_REP6-N1026 Malic acid 13.4522 1472.5 2.5 scans 91% 73 m/z 0.30% 0.0736% 700 1.1 293 338529 3467112 3299046 1-1 20: 73 147 233 245 133 189 190 148 75 74 191 175 335 101 149 55 234 171 59 217 0.992 13.53 -5.1 99 98 97 98 335 35.1 1.433 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5623 1544.6 2.5 scans 51% 292 m/z 5.9% 0.00457% 806 1.1 71 17032 215670 215670 0-0 9: 292 220 205 293 199 217 148 103 294 0.991 14.62 -4.0 82 81 76 85 409 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6622 1551.3 2.7 scans 67% 174 m/z 2.1% 0.00607% 815 1.1 81 47036 0.00702% 286141 286141 330668 0-0 7: 174 175 86 176 250 100 59 0.990 14.16 33.0 81 81 82 92 250 17.1 4.433 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1044 Dodecanol 14.7159 1554.8 2.7 scans 92% TIC 0.40% 0.0518% 820 1.0 229 254166 0.0588% 2441347 2228904 2769700 0-7 0.999 14.24 31.4 97 99 98 99 243 125.3 29.902 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1785 1654.3 2.9 scans 86% 290 m/z 0.33% 0.0533% 959 1.9 212 305424 0.0576% 2511884 2490074 2713176 1-0 18: 290 73 291 292 392 158 144 131 117 393 74 115 293 59 100 172 200 394 0.960 16.28 -6.8 99 98 95 99 392 30.9 2.118 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5362 1679.1 2.9 scans 93% 55 m/z 0.28% 0.134% 993 1.2 347 360427 0.146% 6320545 5395554 6877146 9-4 20: 55 83 73 69 97 56 70 57 84 111 82 127 113 98 68 71 96 67 140 85 1.000 16.63 -6.3 99 98 99 98 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1010 Glycerol-P 17.4621 1745.6 2.7 scans 95% 357 m/z 0.061% 0.795% 1081 0.8 909 1651984 37449432 35671927 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 301 133 387 129 256 218 328 1.000 16.97 36.1 96 99 99 99 445 145.6 2.569 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5421 1751.5 2.7 scans 54% 217 m/z 1.9% 0.0106% 1089 1.1 105 53292 0.0633% 500092 480064 2981667 1-1 10: 217 218 450 219 305 191 257 232 148 451 0.979 17.63 -6.5 82 82 75 83 450 15.6 2.180 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4175 1816.1 4.1 scans 95% TIC 0.028% 2.44% 1172 0.5 1275 3554419 115202820 106926391 1-3 0.995 17.91 37.9 96 99 98 99 327 121.6 0.910 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1012 Phytol 18.5533 1826.4 3.0 scans 97% 68 m/z 0.072% 0.976% 1185 0.6 961 1408403 1.13% 46020071 46004555 53227229 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 79 56 70 53 1.000 18.04 38.3 95 98 99 99 278 56.5 0.346 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1016 Hexadecene 18.6174 1831.3 3.1 scans 88% TIC 0.33% 0.141% 1191 1.5 352 306775 3.31% 6656281 6166970 155913386 0-1 0.994 18.10 38.9 85 85 93 97 280 52.0 2.182 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6448 1833.4 3.0 scans 64% 285 m/z 1.4% 0.0281% 1194 1.1 163 72003 0.260% 1327450 1288521 12246973 2-1 16: 285 117 75 132 129 286 145 118 131 300 287 201 116 130 241 61 0.987 18.73 -6.3 95 94 82 95 300 16.7 1.049 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1002 Phytol 18.8min 18.8458 1848.7 2.8 scans 93% 81 m/z 0.52% 0.147% 1213 1.0 369 193158 6970064 6380970 1-11 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 124 97 109 278 53 56 110 0.998 18.84 0.4 100 99 100 99 278 42.7 1.335 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9363 1855.6 3.1 scans 74% TIC 1.2% 0.0263% 1221 1.1 155 84813 0.136% 1243161 1109197 6406109 0-1 0.991 18.40 40.6 92 97 95 97 364 14.6 0.879 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1018 Fructose 19.0573 1864.9 2.9 scans 41% 103 m/z (81) 1.4% 0.0241% 1233 1.1 144 72548 0.0289% 1137069 1034893 1361298 1-6 12: 103 307 217 308 277 218 309 364 104 89 262 219 0.870 18.52 40.6 86 92 91 98 364 14.3 0.981 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0909 1867.4 2.9 scans 95% 81 m/z 0.24% 0.301% 1236 0.9 539 419773 14199837 13850494 1-1 20: 81 82 95 68 57 123 69 55 83 79 71 67 97 96 109 124 278 53 111 56 0.998 18.58 39.0 92 95 98 99 278 73.2 1.843 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN BRA4_R~2-N1004 Galactose 19.2593 1880.3 2.7 scans 50% 319 m/z 2.6% 0.0107% 1252 0.8 106 39069 0.0174% 504916 500970 819605 0-1 11: 319 205 160 320 321 206 229 157 161 207 89 0.961 19.36 -7.8 91 91 83 91 364 0.0 0.000 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1068 Galactopyranose 19.3372 1886.2 3.1 scans 60% 204 m/z 1.8% 0.0212% 1259 1.7 132 55850 0.0419% 1001854 955428 1973647 1-6 9: 204 191 205 206 303 243 193 89 305 0.896 19.32 1.7 81 80 80 84 435 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9179 1932.2 3.7 scans 85% TIC 0.29% 0.119% 1315 0.8 275 341162 0.129% 5624747 4650035 6076383 1-2 0.986 19.91 0.5 97 95 96 99 361 12.2 0.196 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7934 2002.6 3.3 scans 94% TIC 0.19% 0.452% 1398 0.8 630 512765 0.506% 21321155 20553848 23834494 0-5 0.999 20.27 42.4 83 84 95 98 322 42.5 0.456 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1038 C16:0 21.1554 2033.1 3.8 scans 97% 313 m/z 0.031% 1.98% 1432 0.4 1209 3228321 93346289 91831298 0-1 20: 313 117 73 75 132 129 145 314 55 131 133 118 57 69 315 201 74 116 269 130 1.000 20.62 44.8 94 99 99 100 328 137.4 1.292 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6678 2076.1 3.4 scans 40% 305 m/z 2.9% 0.0165% 1481 1.0 118 34254 779754 774720 2-0 18: 305 217 318 147 191 306 265 319 432 218 307 320 433 367 291 308 192 219 0.970 21.75 -6.8 91 91 75 91 507 7.8 0.436 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9750 2102.0 3.3 scans 53% 327 m/z 1.1% 0.0517% 1510 1.0 210 86643 0.0559% 2439248 2317070 2633099 1-4 14: 327 117 132 129 145 328 342 283 299 116 343 313 297 257 0.769 22.33 -31.0 92 95 90 98 342 25.3 1.451 -0.355 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1913 2208.6 6.0 scans 94% TIC 0.036% 5.49% 1626 0.2 1570 2817201 5.96% 258879375 227143294 280738303 0-10 0.997 23.12 6.8 97 97 98 96 350 113.3 0.521 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1036 C18:0 23.4270 2230.2 3.7 scans 89% 341 m/z 0.12% 0.497% 1648 0.7 622 800590 23450804 22566111 2-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 0.994 22.89 48.4 93 99 98 99 356 79.7 1.644 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7322 2258.1 4.3 scans 46% 163 m/z 0.46% 0.0700% 1677 1.0 213 218315 0.0725% 3299443 3152397 3415021 4-5 8: 163 331 164 165 161 88 178 90 0.933 23.72 1.2 93 92 92 97 331 44.2 4.290 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1006 Androsterone 23.9794 2280.7 6.9 scans 89% 143 m/z 0.015% 4.86% 1701 0.4 1446 6596844 6.19% 229249833 223039264 291572164 1-0 20: 143 73 187 75 144 255 135 188 145 107 270 93 105 121 81 119 157 156 95 131 1.000 23.89 8.3 84 76 79 99 345 92.2 0.407 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1010 Epitestosterone 24.0331 2285.6 >4 scans 96% 143 m/z 0.032% 1.88% 1706 0.8 1178 3107746 7.05% 88631709 86830409 332081382 0-1 20: 143 73 135 75 144 80 93 107 81 157 121 255 145 187 105 119 134 95 159 133 1.000 23.96 6.7 90 87 95 94 360 79.9 0.461 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1014 Androsterone 24.3min 24.3909 2319.0 13.6 scans 95% TIC 0.011% 2.95% 1740 1.0 1556 8645797 10.2% 139309212 139309212 480458170 0-0 1.000 24.27 11.1 93 91 94 94 362 123.6 0.634 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1012 Androsterone 24.23min 24.4003 2319.9 15.4 scans 100% 143 m/z 0.011% 8.57% 1741 0.1 1464 8624528 403839969 403839969 0-0 11: 143 452 437 453 454 349 335 439 321 329 423 0.999 24.23 16.1 94 92 94 95 362 122.1 0.697 0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1016 Androsterone 24.5min 24.5666 2335.7 3.2 scans 91% TIC 0.039% 0.817% 1756 0.6 798 2610276 1.06% 38509922 36318056 49929967 2-6 0.997 24.52 4.7 82 74 79 97 362 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1018 myo-Inositol 25.2158 2397.4 2.9 scans 64% 318 m/z 0.73% 0.0626% 1818 1.0 247 138743 2950556 2699756 6-3 18: 318 315 299 147 387 319 316 389 320 300 388 191 317 301 432 343 433 390 0.972 25.21 0.6 98 97 96 99 470 18.5 0.559 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6345 2438.8 3.0 scans 50% 91 m/z 0.54% 0.0303% 1858 1.1 167 186174 0.0406% 1429986 1293415 1912412 6-4 15: 91 117 194 207 92 208 193 115 65 312 118 104 51 178 102 0.988 25.61 2.5 96 96 96 97 312 20.6 1.509 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1024 Steroid 26.19min 2494 26.2438 2499.1 3.7 scans 96% 143 m/z 0.014% 2.86% 1916 0.5 1468 6891409 134853475 133845088 1-0 20: 143 73 192 177 75 81 191 144 156 169 69 95 155 170 272 109 123 122 55 145 0.999 26.19 5.0 92 88 95 99 347 59.4 0.164 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3027 2505.1 4.2 scans 43% TIC 0.51% 0.0186% 1921 1.0 200 196621 1.48% 879387 879387 69713538 0-0 0.968 25.86 44.4 84 87 91 97 361 8.6 0.000 0.447 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5615 2531.9 2.9 scans 57% 512 m/z 0.44% 0.0947% 1946 0.9 308 229116 4462716 4266445 1-1 16: 512 455 247 513 456 483 514 207 248 263 349 457 484 497 423 249 0.972 26.57 -1.2 99 98 92 99 512 102.5 11.038 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9319 2570.1 2.7 scans 89% 371 m/z 0.047% 0.600% 1981 0.8 800 2123375 28269835 28217858 0-1 20: 371 372 73 147 57 129 205 203 239 373 459 55 103 71 116 145 75 101 117 85 1.000 26.39 55.5 90 98 97 99 459 98.8 1.530 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1010 Sucrose 27.4170 2620.9 3.0 scans 35% 361 m/z (143) 0.80% 0.0439% 2027 1.0 199 126313 2068986 1964467 0-5 11: 361 362 437 363 271 451 438 364 439 452 272 0.922 27.58 -17.3 95 97 89 97 437 36.5 3.354 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN LQC1-N1008 Sucrose 27.4170 2620.9 3.0 scans 28% 361 m/z 0.80% 0.0333% 2027 1.0 179 126302 1572784 1493331 0-5 11: 361 362 437 363 271 451 438 364 439 452 272 0.689 27.59 -18.6 96 96 78 96 437 36.5 4.131 -0.174 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7280 2764.1 2.7 scans 90% 399 m/z 0.079% 0.382% 2152 0.8 638 1281990 18009119 17533841 0-1 18: 399 400 73 147 129 205 203 103 487 401 55 116 145 75 117 101 267 133 0.991 28.19 60.2 89 98 97 100 487 80.9 1.610 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN SQUALENE-N1017 Squalene STD 29.0847 2804.2 >4 scans 44% TIC 1.0% 0.0134% 2186 1.7 154 94814 0.0445% 633566 633566 2096117 0-0 0.975 29.09 -0.9 81 82 91 81 410 6.0 0.151 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1034 Nonacosane 29.5193 2853.1 2.8 scans 88% 57 m/z 0.098% 0.331% 2227 0.8 580 1038449 15635058 15119413 1-1 20: 57 71 85 55 99 69 365 56 83 97 113 70 127 141 111 84 393 155 366 364 0.999 29.50 1.6 93 90 97 98 408 22.4 0.149 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8381 2889.0 2.9 scans 84% 57 m/z 0.14% 0.229% 2257 0.9 468 711565 10818015 10139596 2-4 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 58 155 86 112 0.997 29.83 1.3 96 93 99 100 408 30.0 0.410 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4242 2958.0 3.0 scans 49% 193 m/z (204) 0.81% 0.0752% 2313 1.2 255 125273 3543429 3301695 1-4 16: 193 119 105 163 120 176 91 194 411 171 515 247 325 106 158 516 0.978 30.36 7.9 84 86 86 87 529 11.3 0.196 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4841 2965.1 2.8 scans 91% 57 m/z 0.054% 0.629% 2319 0.6 782 1862139 29652863 29608097 2-0 20: 57 71 85 393 56 55 69 99 83 97 70 113 392 394 127 111 141 84 155 365 0.999 30.46 2.5 98 95 98 100 393 186.8 5.711 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2217 3052.7 2.9 scans 87% 57 m/z 0.069% 0.509% 2389 0.7 707 1468321 24009799 23032921 1-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 155 421 394 98 0.998 31.21 1.2 97 95 99 100 393 109.3 2.391 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1048 Hentriacontane 31.5353 3089.9 3.1 scans 89% 57 m/z 0.048% 0.802% 2419 0.6 845 2116810 37792054 37517299 1-0 20: 57 71 85 55 99 83 69 97 113 56 70 127 111 84 141 98 155 169 112 126 0.999 31.53 0.4 100 99 100 99 436 50.6 0.359 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6826 3107.4 7.5 scans 23% 204 m/z 1.1% 0.0123% 2433 1.1 136 85639 0.0927% 582641 582641 4366517 0-0 16: 204 597 337 205 73 217 103 599 598 129 206 191 147 338 361 243 0.909 31.68 0.8 88 89 84 90 597 16.4 1.460 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8215 3123.9 3.0 scans 76% 502 m/z 0.10% 0.249% 2446 0.8 489 928579 11735496 11334201 1-1 15: 502 237 503 73 236 504 238 277 221 223 208 239 505 74 193 0.990 31.79 3.5 100 99 98 100 502 239.4 23.931 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9488 3139.0 3.0 scans 76% 329 m/z 0.34% 0.296% 2458 0.9 536 291186 13976807 13198223 1-1 17: 329 129 368 458 353 95 107 121 330 105 119 328 81 145 369 93 91 0.995 31.87 9.6 96 95 95 99 458 79.4 2.198 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1140 3158.7 3.2 scans 47% 57 m/z (487) 0.22% 0.169% 2474 0.8 382 461109 0.235% 7975690 7917789 11069379 1-1 17: 57 71 56 85 421 83 99 97 70 113 422 420 127 84 141 58 393 0.983 32.11 0.5 96 97 98 99 421 87.1 5.203 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN QC1-N1046 Stigmasterol 32.9947 3263.3 3.5 scans 83% 83 m/z (421) 0.13% 1.06% 2557 0.5 873 777600 49945534 45670619 2-1 19: 83 129 55 255 394 484 69 81 75 133 159 119 105 145 355 107 93 351 95 0.999 32.98 1.5 94 94 98 97 665 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3945 3310.7 3.4 scans 65% 217 m/z 0.27% 0.296% 2595 1.1 534 367921 0.829% 13988084 13939288 39049002 2-0 20: 217 361 95 199 73 437 529 203 273 169 103 362 438 113 161 71 218 530 145 147 0.984 33.38 1.8 88 87 71 88 529 94.7 3.151 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN WTF2-N1034 b-Sitosterol 33.4713 3319.9 3.4 scans 21% 357 m/z 1.0% 0.0869% 2603 0.8 265 93813 4093922 3795146 0-3 10: 357 396 486 381 358 397 356 487 255 120 0.769 32.88 70.6 81 95 74 95 486 43.4 2.672 0.594 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8922 3369.9 3.6 scans 4.1% 441 m/z 1.3% 0.0103% 2643 1.2 87 74417 0.0142% 487051 474194 668873 1-0 6: 441 442 646 308 443 647 0.997 33.80 11.5 90 91 56 92 646 19.5 5.015 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5887 3452.6 3.9 scans 17% 596 m/z 0.47% 0.0716% 2709 1.1 226 213552 3373396 3289756 0-3 11: 596 597 598 316 599 356 318 300 370 286 600 0.627 34.47 13.9 93 92 71 99 596 114.8 25.873 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN EXBLK5S-N1006 Contamination 6.3677 1048.1 2.2 scans 80% 207 m/z 0.52% 0.0300% 27 1.1 190 196039 1288186 1173978 1-8 19: 207 73 295 208 209 296 191 297 279 74 193 71 84 189 133 177 210 247 192 0.996 6.63 -15.2 98 97 89 97 295 59.5 9.785 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1192 Contamination 7.9470 1141.7 2.3 scans 96% 147 m/z 0.092% 0.303% 177 1.0 574 1114967 13007724 12967662 2-0 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 100 75 149 131 134 236 0.995 7.99 -2.5 99 98 97 99 235 116.3 4.105 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1026 Cadaverine NC 8.1248 1152.2 2.4 scans 83% 174 m/z 0.41% 0.0394% 194 1.0 203 246526 1690126 1681839 1-0 20: 174 73 175 216 142 86 59 176 100 160 130 217 74 131 143 87 158 218 231 172 0.995 7.74 23.0 95 94 91 99 216 47.8 5.512 0.389 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1188 Contamination 8.3026 1162.8 2.3 scans 64% 281 m/z 2.3% 0.0104% 211 1.1 105 43000 447609 446752 0-1 13: 281 369 282 283 370 265 207 371 249 149 191 266 284 0.940 8.41 -6.6 96 96 78 98 369 30.8 8.609 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1186 Phosphate 8.4857 1173.6 2.2 scans 98% 241 m/z 0.032% 0.461% 228 1.0 718 3204672 19787451 19438698 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 75 134 137 212 121 1.000 8.56 -4.4 100 99 99 100 299 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1180 Benzoic acid 9.6589 1242.6 2.6 scans 34% 179 m/z (73) 5.3% 0.00436% 339 0.9 61 19302 0.00475% 187158 169747 203706 1-4 8: 179 105 135 77 180 51 194 136 0.987 9.76 -5.9 94 96 89 96 194 10.2 2.844 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN VEN77_S6-N1002 Glycerol 10.0188 1263.7 4.6 scans 91% 299 m/z 0.014% 2.10% 374 0.5 1106 7117713 90458950 89063162 0-1 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 74 135 302 75 225 59 131 0.958 10.09 -4.3 100 99 98 99 299 655.2 35.233 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LACTIC~1-N1034 Glycerol 10.0303 1264.3 2.2 scans 9.5% 205 m/z (299) 0.27% 0.104% 375 0.5 309 370713 4461938 3824038 2-1 16: 205 218 117 206 204 129 219 101 203 217 175 293 143 220 130 294 0.710 10.11 -4.7 85 94 57 93 293 26.1 0.712 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6564 1301.0 2.7 scans 92% 199 m/z 1.0% 0.0687% 434 1.0 246 93941 2948859 2845307 1-1 19: 199 75 117 69 55 145 57 85 83 132 71 111 84 129 70 200 131 67 125 1.000 10.73 -4.6 82 74 62 99 209 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9963 1321.4 2.6 scans 59% 184 m/z 4.5% 0.00737% 467 0.9 84 22516 316157 313359 1-0 13: 184 285 134 174 86 100 77 286 59 227 172 135 110 0.897 11.06 -4.1 91 91 84 93 285 25.8 9.385 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3709 1344.0 2.7 scans 21% 57 m/z 0.34% 0.0614% 502 1.2 239 300016 0.0771% 2636734 2636734 3306473 0-0 18: 57 97 115 145 127 129 69 111 59 109 128 72 71 98 87 201 114 113 0.996 11.45 -4.5 94 94 88 94 145 70.8 8.765 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4087 1346.3 3.6 scans 96% 84 m/z 0.018% 1.38% 506 0.5 986 5564281 59419891 58360144 1-2 20: 84 133 162 161 119 92 118 82 65 85 51 130 78 134 117 63 55 91 120 77 0.996 10.96 27.3 97 97 96 98 161 261.4 7.037 0.453 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN TAB_REP6-N1026 Malic acid 13.4489 1472.3 2.7 scans 84% TIC 0.99% 0.0340% 700 1.0 171 103231 0.0504% 1459561 1248664 2161430 2-1 0.992 13.53 -5.3 90 88 84 91 335 18.6 1.180 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6600 1551.1 >4 scans 72% TIC 2.0% 0.00703% 815 1.6 89 50022 0.118% 301818 301818 5060490 0-0 0.984 14.16 32.8 85 85 88 95 250 17.4 3.781 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1044 Dodecanol 14.7126 1554.6 2.6 scans 91% TIC 0.37% 0.0598% 820 0.9 233 272243 0.103% 2566301 2239473 4417207 0-7 0.999 14.24 31.2 97 99 98 99 243 128.1 30.174 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1762 1654.1 3.0 scans 83% 290 m/z 0.32% 0.0608% 959 1.9 213 319973 0.0657% 2609326 2504381 2817578 1-0 17: 290 73 291 292 158 392 144 131 115 117 393 74 293 100 394 159 130 0.961 16.28 -7.0 99 98 95 99 392 31.6 2.204 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5340 1679.0 2.9 scans 91% 55 m/z 0.30% 0.135% 993 1.1 331 337183 0.144% 5803669 4969823 6175513 9-4 19: 55 83 69 73 56 97 70 57 84 111 82 127 113 98 68 67 140 54 96 0.999 16.63 -6.4 99 98 98 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1010 Glycerol-P 17.4599 1745.5 2.6 scans 97% 357 m/z 0.056% 0.895% 1081 0.8 933 1809254 38406133 37936758 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 256 129 328 218 0.997 16.97 36.0 96 99 98 99 445 150.6 2.606 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5388 1751.2 2.7 scans 44% 217 m/z 2.3% 0.0103% 1089 0.8 96 43042 0.0566% 443267 443267 2427320 0-0 9: 217 218 450 219 305 232 191 169 253 0.990 17.63 -6.8 80 80 69 83 450 14.2 2.163 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4153 1815.9 4.2 scans 89% 312 m/z (310) 0.030% 2.45% 1172 0.5 1213 3391625 105195373 101278691 1-1 20: 312 73 76 135 119 120 132 149 50 136 62 74 118 78 58 327 133 66 77 90 0.999 17.91 37.7 93 99 99 99 327 119.5 0.973 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1012 Phytol 18.5521 1826.3 3.0 scans 97% 68 m/z 0.081% 0.997% 1185 0.5 903 1259192 1.17% 42796358 42503613 50176043 2-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 56 79 70 53 1.000 18.04 38.2 94 98 99 99 278 53.0 0.345 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1016 Hexadecene 18.6142 1831.1 3.3 scans 87% TIC 0.37% 0.151% 1191 1.7 330 272826 3.49% 6498691 6052340 149670419 0-2 0.995 18.10 38.7 84 84 92 97 280 49.1 2.217 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6415 1833.1 2.9 scans 52% 285 m/z (70) 1.3% 0.0354% 1193 1.2 165 75931 0.553% 1521975 1339343 23715685 10-5 18: 285 117 75 132 129 286 145 118 287 131 241 300 116 201 130 257 61 76 0.949 18.73 -6.6 94 96 83 96 300 15.7 0.902 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1002 Phytol 18.8min 18.8436 1848.6 2.9 scans 91% 81 m/z 0.59% 0.148% 1212 1.1 342 172214 6379193 5772751 1-11 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 278 53 110 56 0.983 18.84 0.3 99 99 98 99 278 40.4 1.391 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1018 Fructose 18.9340 1855.5 2.9 scans 63% 73 m/z 1.7% 0.0184% 1221 0.8 128 58952 0.0205% 791523 688966 879153 2-3 20: 73 103 307 217 147 308 277 218 189 309 104 133 364 89 205 148 219 74 172 117 0.982 18.52 31.2 90 92 93 92 364 13.0 1.035 0.409 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9340 1855.5 2.9 scans 64% 73 m/z (69) 1.7% 0.0213% 1221 0.8 129 58329 0.0238% 916097 797399 1020675 2-3 20: 73 103 307 217 147 308 277 218 189 309 104 133 364 89 205 148 219 74 172 117 0.986 18.40 40.5 90 96 95 97 364 13.2 1.047 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0887 1867.3 2.9 scans 95% 81 m/z 0.26% 0.311% 1236 0.9 513 392043 13367572 12835206 1-2 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.998 18.58 38.9 93 95 98 99 278 70.7 1.900 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN BRA4_R~2-N1004 Galactose 19.2539 1879.9 3.0 scans 32% 319 m/z 5.5% 0.00629% 1251 1.4 74 18601 0.0134% 270071 269465 574666 1-0 6: 319 205 160 320 321 206 0.956 19.36 -8.2 89 90 80 90 364 0.0 0.000 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1068 Galactopyranose 19.3339 1886.0 3.1 scans 56% 204 m/z 2.0% 0.0168% 1259 1.6 115 51266 0.0342% 721732 698047 1466684 2-0 9: 204 191 205 206 218 193 305 243 219 0.938 19.32 1.5 84 83 83 86 435 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9136 1931.8 3.2 scans 86% TIC 0.28% 0.117% 1314 1.1 282 362548 0.122% 5051948 4385474 5232032 4-1 0.989 19.91 0.1 97 94 95 99 361 12.8 0.207 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7912 2002.5 3.3 scans 93% 75 m/z 0.22% 0.467% 1398 0.8 594 458438 0.491% 20037272 19172815 21056784 1-1 20: 75 73 79 67 93 95 91 129 108 80 55 117 81 94 307 121 77 107 135 145 1.000 20.27 42.3 82 82 94 97 322 41.5 0.490 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1038 C16:0 21.1531 2032.9 3.8 scans 97% 313 m/z 0.030% 2.22% 1432 0.5 1225 3418244 95207797 94234514 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 69 57 74 201 315 116 130 1.000 20.62 44.6 94 99 99 100 328 140.1 1.308 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1042 myo-Inositol 21.6645 2075.8 3.5 scans 21% 305 m/z 10% 0.00473% 1481 0.8 58 9953 203170 182383 3-3 10: 305 318 217 306 191 307 319 265 218 338 0.942 21.77 -9.3 80 79 63 88 318 18.4 9.955 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9696 2101.5 3.1 scans 59% 327 m/z 1.1% 0.0550% 1510 1.0 209 89743 2359076 2172922 2-2 12: 327 117 132 129 328 145 342 329 118 283 299 343 0.799 22.33 -31.5 93 96 90 98 342 26.4 1.595 -0.360 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1828 2207.8 6.2 scans 94% 75 m/z 0.036% 5.67% 1625 0.3 1542 2830433 6.07% 243395157 239253561 260315027 0-2 20: 75 79 73 95 67 93 108 80 81 55 129 91 107 94 117 121 77 135 149 122 0.996 23.12 6.0 98 97 98 97 350 110.3 0.512 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1036 C18:0 23.4227 2229.8 3.7 scans 88% 341 m/z 0.12% 0.557% 1648 0.6 618 840827 23918874 21997320 3-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 69 118 343 131 201 74 297 116 0.997 22.89 48.0 93 99 98 99 356 80.3 1.688 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7279 2257.7 4.2 scans 42% 163 m/z 0.57% 0.0586% 1677 1.1 187 178619 2514415 2454392 1-5 7: 163 331 164 332 88 90 60 0.936 23.72 0.8 93 91 92 97 331 41.3 4.857 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1006 Androsterone 23.9646 2279.3 5.9 scans 93% TIC 0.016% 4.55% 1699 0.5 1400 6313054 6.04% 195528853 186718850 259028462 1-0 1.000 23.89 6.9 84 76 79 99 345 89.3 0.408 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1010 Epitestosterone 24.0225 2284.6 >4 scans 96% 143 m/z 0.036% 1.79% 1705 0.8 1099 2821915 6.58% 76863573 75040126 282186635 0-1 20: 143 73 135 75 144 80 93 107 157 121 81 255 187 145 105 119 134 159 95 175 1.000 23.96 5.7 90 87 95 94 360 75.3 0.470 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2834 2308.8 >12 scans 68% 143 m/z 0.012% 5.51% 1729 2.6 1063 8233724 6.12% 236556234 233150524 262459302 1-0 1: 143 0.987 24.23 5.0 98 97 96 99 362 81.6 0.594 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1014 Androsterone 24.3min 24.3792 2317.9 12.4 scans 98% 143 m/z 0.011% 3.76% 1739 0.5 1584 8816321 10.7% 161369083 161369083 458874924 0-0 20: 143 73 144 75 156 145 81 272 155 95 69 109 219 170 169 115 130 55 157 93 1.000 24.27 10.0 92 90 94 93 362 126.6 0.641 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1016 Androsterone 24.5min 24.5601 2335.1 2.9 scans 90% 143 m/z 0.041% 0.797% 1756 0.5 763 2459297 1.00% 34195089 31770823 42885507 1-7 20: 143 73 144 300 75 284 180 93 145 79 315 91 55 81 107 67 119 179 374 77 0.995 24.52 4.1 82 74 79 97 362 0.0 0.000 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1018 myo-Inositol 25.2115 2397.0 3.3 scans 63% TIC 1.0% 0.0528% 1818 1.3 217 100828 2265878 2169997 0-1 0.961 25.21 0.2 97 97 94 99 470 15.4 0.504 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6313 2438.4 3.1 scans 51% 91 m/z 0.66% 0.0300% 1858 1.2 152 155449 1290427 1151547 2-4 17: 91 117 194 207 92 208 65 115 312 193 104 118 51 102 186 128 195 0.984 25.61 2.1 95 95 94 96 312 19.4 1.642 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1024 Steroid 26.19min 2494 26.2342 2498.1 3.3 scans 97% 143 m/z 0.016% 2.49% 1915 0.5 1366 6233444 107167647 107122460 1-0 20: 143 73 192 177 75 81 144 191 156 169 69 95 155 170 272 123 109 122 145 55 1.000 26.19 4.0 92 88 95 99 347 54.4 0.159 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3015 2505.0 3.6 scans 50% TIC 0.56% 0.0219% 1921 1.0 194 183703 1.53% 942157 942157 65614826 0-0 0.969 25.86 44.3 86 89 91 98 361 9.8 0.253 0.446 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5593 2531.6 2.7 scans 67% 512 m/z 0.43% 0.105% 1946 0.9 311 234209 4505809 4505809 0-0 16: 512 455 247 513 456 483 514 248 207 263 349 457 484 423 497 409 0.981 26.57 -1.5 99 98 91 98 512 105.7 11.520 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9307 2570.0 2.8 scans 93% 371 m/z 0.040% 0.818% 1981 0.8 860 2554624 35108789 34349086 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 75 145 101 117 133 1.000 26.39 55.4 90 98 97 99 459 109.7 1.630 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1014 Sucrose 27.4147 2620.7 2.8 scans 15% 361 m/z (143) 2.7% 0.0104% 2027 1.0 93 37747 446098 404642 0-4 7: 361 362 437 363 438 364 439 0.826 27.49 -8.0 90 93 70 93 437 20.8 5.036 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1018 Sucrose 27.4147 2620.7 2.8 scans 13% 361 m/z 2.7% 0.00861% 2027 1.0 87 38031 369520 335181 0-4 7: 361 362 437 363 438 364 439 0.684 27.47 -5.8 92 94 68 93 437 20.8 5.683 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN LQC1-N1010 Sucrose 27.4147 2620.7 2.8 scans 24% 361 m/z (397) 2.7% 0.0169% 2027 1.0 119 37957 728322 660640 0-4 7: 361 362 437 363 438 364 439 0.878 27.58 -17.5 87 90 70 90 437 20.8 3.076 -0.164 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7279 2764.1 2.7 scans 93% 399 m/z 0.063% 0.530% 2152 0.7 699 1631314 22757547 22228157 1-0 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 75 101 267 117 133 0.999 28.19 60.2 89 98 97 100 487 91.1 1.700 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN SQUALENE-N1017 Squalene STD 29.0814 2803.9 7.0 scans 47% TIC 1.0% 0.0168% 2185 1.7 154 101398 0.0598% 722360 722360 2564553 0-0 0.980 29.09 -1.2 82 82 91 82 410 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1034 Nonacosane 29.5181 2853.0 2.8 scans 89% 57 m/z 0.093% 0.386% 2227 0.8 594 1102596 16567296 16045904 1-1 20: 57 71 85 55 99 69 56 83 365 97 113 70 127 111 141 84 155 393 364 366 0.999 29.50 1.5 93 90 97 98 408 22.7 0.146 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8359 2888.7 2.9 scans 85% 57 m/z 0.14% 0.246% 2257 1.0 465 711905 10556970 10015064 2-3 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 155 86 58 112 0.997 29.83 1.0 96 93 99 100 408 29.8 0.409 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4240 2958.0 3.1 scans 55% 193 m/z (204) 0.72% 0.0999% 2313 1.1 274 142967 4286424 4035175 2-3 14: 193 119 105 163 120 194 91 176 515 247 171 325 106 516 0.983 30.36 7.9 85 87 87 88 529 11.9 0.189 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4819 2964.8 3.3 scans 91% 57 m/z 0.066% 0.659% 2319 0.6 702 1540517 0.662% 28294714 27804572 28390206 6-0 20: 57 71 85 393 56 55 69 99 83 97 392 394 70 113 127 111 141 84 155 365 0.999 30.46 2.2 98 95 98 99 393 171.0 5.941 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2216 3052.7 2.8 scans 89% 57 m/z 0.069% 0.556% 2389 0.6 703 1483358 23861512 23843247 0-1 20: 57 71 85 55 99 69 393 83 56 97 113 70 127 111 141 84 155 421 394 392 0.996 31.21 1.2 98 96 99 100 393 110.6 2.474 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1048 Hentriacontane 31.5341 3089.8 3.3 scans 89% TIC 0.057% 0.748% 2419 0.5 764 1787517 0.802% 32121103 31168124 34394177 1-2 0.999 31.53 0.3 100 99 100 100 436 46.9 0.377 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6804 3107.2 3.9 scans 21% 204 m/z 1.4% 0.0110% 2433 1.2 121 70692 0.0154% 475485 475485 660437 0-0 15: 204 205 597 73 337 129 217 598 103 206 191 147 361 338 219 0.874 31.68 0.6 89 91 83 90 597 16.8 1.935 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8203 3123.8 2.9 scans 78% 502 m/z 0.10% 0.283% 2446 0.9 498 985834 12165328 11698186 1-1 15: 502 237 503 73 236 504 238 277 221 223 208 239 74 505 193 0.988 31.79 3.4 100 99 98 100 502 243.8 24.003 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9497 3139.2 3.1 scans 76% 329 m/z 0.42% 0.279% 2458 0.9 485 243182 11984954 11330334 1-1 17: 329 129 368 458 353 95 107 330 121 145 119 105 81 369 328 91 159 0.995 31.87 9.8 97 95 96 98 458 73.5 2.292 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1107 3158.3 3.1 scans 54% 57 m/z 0.24% 0.141% 2473 1.0 353 413163 0.194% 6070360 5674159 8319788 0-1 19: 57 71 85 56 421 55 99 69 83 70 97 420 422 127 84 141 58 393 155 0.981 32.11 0.1 97 97 97 99 421 81.4 5.316 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN QC1-N1046 Stigmasterol 32.9967 3263.5 3.6 scans 83% 83 m/z (421) 0.13% 1.11% 2558 0.5 849 754178 47876637 44358412 2-1 19: 83 129 255 55 394 484 69 81 75 133 159 355 119 145 105 351 107 93 485 0.996 32.98 1.7 94 95 98 97 665 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3923 3310.5 3.4 scans 57% 217 m/z 0.39% 0.203% 2595 0.9 443 262728 0.689% 8748177 8748177 29548114 0-0 20: 217 361 95 199 437 73 529 203 273 362 169 113 438 161 103 71 530 218 145 451 0.974 33.38 1.6 88 88 70 88 529 79.2 3.193 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8921 3369.8 3.5 scans 8.0% 441 m/z 0.69% 0.0221% 2643 1.0 123 147404 0.0228% 947976 903980 977790 1-0 7: 441 442 646 308 443 647 427 0.990 33.80 11.4 91 91 58 92 646 27.4 4.989 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N419_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5865 3452.3 3.9 scans 24% 596 m/z 0.50% 0.0997% 2709 1.0 251 204790 4278896 4098374 1-5 12: 596 597 598 316 599 318 356 330 300 600 370 328 0.839 34.47 13.6 86 81 68 99 596 111.1 19.652 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN EXBLK5S-N1006 Contamination 6.3678 1048.1 2.6 scans 40% 207 m/z 2.2% 0.0137% 27 2.4 95 45403 375927 351727 0-8 9: 207 295 208 209 296 191 279 189 193 0.921 6.63 -15.2 88 88 52 89 295 31.9 11.395 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1192 Contamination 7.9766 1143.4 2.7 scans 98% 73 m/z 0.066% 0.781% 180 0.7 749 1510510 21297940 21185833 2-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 100 75 160 103 149 131 134 221 0.998 7.99 -0.8 99 98 97 99 235 149.0 3.957 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1026 Cadaverine NC 8.1344 1152.8 3.0 scans 29% 174 m/z 10% 0.00217% 195 1.6 37 9264 59162 59162 1-0 5: 174 100 216 175 142 0.820 7.74 23.6 80 85 61 84 216 9.3 6.343 0.398 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1188 Contamination 8.3186 1163.7 3.7 scans 32% 281 m/z 8.7% 0.00519% 212 2.1 53 11381 141585 141585 0-0 6: 281 369 282 283 370 207 0.511 8.41 -5.7 84 86 53 91 369 18.9 12.524 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1186 Phosphate 8.5058 1174.8 2.2 scans 97% 241 m/z 0.11% 0.186% 230 1.0 423 854752 5072406 5072406 0-0 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 119 137 147 134 181 121 257 1.000 8.56 -3.2 100 100 99 100 299 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1180 Benzoic acid 9.6696 1243.2 3.4 scans 47% 179 m/z 7.2% 0.00726% 340 0.6 62 13710 198027 196308 1-0 7: 179 105 135 77 180 51 194 0.749 9.76 -5.3 88 88 78 92 194 10.3 2.719 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN VEN77_S6-N1002 Glycerol 10.0473 1265.3 7.5 scans 96% 299 m/z 0.011% 7.93% 376 0.2 1512 8388096 216050115 216050115 0-0 20: 299 300 315 284 208 285 195 209 165 226 57 286 223 153 239 271 76 254 152 224 1.000 10.09 -2.7 97 96 91 98 299 813.9 29.107 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LACTIC~1-N1034 Glycerol 10.0557 1265.8 7.1 scans 18% 73 m/z (314) 0.049% 1.37% 377 0.4 665 2017495 37521445 37521445 0-0 20: 73 147 205 191 117 103 218 74 75 131 59 206 115 134 148 119 137 204 177 149 0.776 10.11 -3.2 81 88 79 92 293 28.4 0.183 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6650 1301.5 3.1 scans 82% 199 m/z 1.2% 0.0612% 435 0.9 200 81207 1667853 1566781 6-1 19: 199 75 117 73 145 132 129 200 131 67 118 74 81 61 76 201 155 53 72 0.922 10.73 -4.1 98 96 96 99 209 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0027 1321.8 2.9 scans 67% 184 m/z 5.0% 0.0100% 467 0.9 84 19962 0.0125% 274765 258057 340527 1-2 11: 184 134 285 174 77 86 185 286 59 227 135 0.984 11.06 -3.7 92 92 83 92 285 26.9 10.294 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3752 1344.3 3.9 scans 90% TIC 0.48% 0.111% 503 0.6 239 207286 0.163% 3050384 2953089 4440471 4-0 0.996 11.45 -4.2 98 97 97 99 145 66.0 7.628 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN TAB_REP6-N1026 Malic acid 13.4564 1472.8 2.6 scans 92% 73 m/z (231) 0.18% 0.210% 700 1.2 403 531983 5723486 5708847 1-0 20: 73 147 233 245 133 148 189 190 75 74 55 149 191 101 175 234 335 59 217 117 1.000 13.53 -4.8 97 98 98 98 335 46.2 1.313 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1146 Malic acid 13.4564 1472.8 2.6 scans 95% 73 m/z 0.17% 0.213% 700 1.2 409 560889 5823477 5808583 1-0 20: 73 147 233 245 133 148 189 190 75 74 55 149 191 101 175 234 335 59 217 117 0.999 13.62 -10.0 99 98 97 98 350 6.6 0.026 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9489 1504.0 2.8 scans 67% 156 m/z 2.5% 0.0107% 747 1.0 88 39770 293419 293419 0-0 6: 156 232 157 230 258 158 0.978 14.11 -10.7 82 78 80 93 273 0.0 0.000 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2645 1524.9 2.5 scans 46% 263 m/z (71) 0.95% 0.0201% 777 1.0 127 104467 550168 546493 0-1 16: 263 264 278 239 265 447 279 175 342 448 247 449 119 128 131 105 0.980 14.33 -4.1 88 87 80 97 278 35.1 7.602 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6622 1551.3 2.6 scans 51% 174 m/z 5.0% 0.00412% 815 1.1 58 19846 0.00436% 112326 112326 118776 0-0 7: 174 86 175 100 176 250 59 1.000 14.16 33.0 81 84 71 86 250 12.5 4.651 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1044 Dodecanol 14.7170 1554.9 2.5 scans 64% 243 m/z 2.3% 0.0145% 820 1.1 107 43081 395741 368459 3-1 12: 243 244 103 89 97 83 245 101 61 76 111 115 0.950 14.24 31.5 93 95 87 97 243 58.3 29.513 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1848 1654.7 3.0 scans 74% 290 m/z 1.3% 0.0307% 960 1.6 143 75223 0.0532% 837154 762503 1449283 2-0 11: 290 73 291 292 158 392 131 144 74 115 59 0.980 16.28 -6.4 85 79 73 98 392 17.3 1.470 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.0 scans 59% 55 m/z 3.6% 0.0100% 993 1.1 95 27432 0.0237% 274140 274140 645639 0-0 17: 55 56 83 97 69 70 84 82 111 98 127 68 67 140 96 54 112 0.960 16.63 -6.5 85 85 82 85 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1010 Glycerol-P 17.4811 1747.0 3.4 scans 97% 357 m/z 0.028% 3.56% 1083 0.5 1505 3450725 97127577 96889350 1-0 20: 357 299 73 358 147 315 300 370 445 211 359 103 301 101 387 129 256 133 218 328 0.999 16.97 37.5 96 99 98 99 445 233.3 2.404 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN TAB_REP6-N1048 Citric acid 18.2355 1802.2 2.9 scans 87% TIC 0.57% 0.100% 1155 1.1 262 172500 0.111% 2749428 2548750 3023879 0-1 0.993 18.24 -0.6 96 94 92 99 465 34.0 1.688 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.1 scans 95% TIC 0.032% 3.85% 1173 0.5 1361 3032696 104926208 101828345 1-2 0.994 17.91 38.3 96 99 98 100 327 126.8 0.868 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1012 Phytol 18.5596 1826.9 3.5 scans 98% 68 m/z 0.071% 1.99% 1185 0.5 1075 1392508 2.19% 54236356 53385320 59660315 1-1 20: 68 95 82 57 123 69 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 38.8 94 98 99 99 278 61.8 0.330 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1016 Hexadecene 18.6196 1831.5 2.7 scans 90% TIC 0.24% 0.275% 1191 1.2 451 411232 5.77% 7509713 6900426 157187221 0-1 0.978 18.10 39.1 81 79 94 97 280 64.3 2.031 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6438 1833.3 2.7 scans 24% 285 m/z 2.5% 0.0240% 1193 1.0 133 39302 655458 653672 1-0 14: 285 117 132 286 145 118 287 201 61 130 300 241 119 146 1.000 18.73 -6.4 93 94 81 94 300 11.9 0.793 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1076 Pregnane?? 18.7669 1842.7 2.5 scans 69% 345 m/z 2.1% 0.0228% 1205 1.0 138 45721 621606 620809 0-1 13: 345 346 147 255 347 256 334 239 192 435 257 419 372 0.956 18.86 -7.0 83 83 76 83 537 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1002 Phytol 18.8min 18.8489 1849.0 2.6 scans 94% 81 m/z 0.36% 0.324% 1213 0.9 502 274924 8849064 8009448 1-12 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 264 56 111 0.998 18.84 0.7 96 95 99 97 278 55.5 1.225 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9436 1856.2 3.2 scans 69% TIC 1.4% 0.0365% 1222 1.3 154 67441 0.283% 995420 940289 7709529 0-1 0.985 18.40 41.2 88 92 89 95 364 14.2 0.843 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1018 Fructose 19.0615 1865.2 2.9 scans 29% 103 m/z (319) 2.2% 0.0235% 1233 1.5 125 45265 0.0280% 641323 605395 762780 0-9 11: 103 307 217 308 277 218 104 262 89 309 364 0.990 18.52 40.9 83 89 88 92 364 12.8 1.054 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1072 Fructose 19.0615 1865.2 2.9 scans 18% 103 m/z 3.2% 0.0143% 1233 1.5 99 30783 0.0171% 392059 370096 465841 0-9 11: 103 307 217 308 277 218 104 262 89 309 364 0.513 19.03 2.2 80 83 49 81 364 12.3 1.567 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0941 1867.7 2.9 scans 93% 81 m/z (319) 0.19% 0.627% 1236 0.8 662 505644 17084559 17060620 0-1 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 109 124 278 111 53 56 1.000 18.58 39.3 91 96 98 99 278 86.3 1.698 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN BRA4_R~2-N1004 Galactose 19.2614 1880.4 2.6 scans 47% 319 m/z 4.0% 0.0116% 1252 1.0 98 24616 0.0128% 316733 311242 348700 0-1 14: 319 205 160 147 320 321 206 229 148 189 207 157 89 218 0.991 19.36 -7.7 88 89 80 89 364 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9106 1931.6 2.8 scans 72% 204 m/z (73) 0.93% 0.0464% 1314 1.1 180 107494 1264553 1133287 3-2 14: 204 205 159 217 147 206 129 218 191 219 160 305 243 291 0.998 19.91 -0.1 90 90 93 93 361 7.4 0.170 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7850 2001.9 2.8 scans 95% TIC 0.19% 0.695% 1397 0.9 715 520658 0.775% 18946004 17453975 21112668 0-7 0.998 20.27 41.7 83 83 94 98 322 47.0 0.433 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1038 C16:0 21.1522 2032.8 3.2 scans 98% 117 m/z 0.028% 3.36% 1432 0.5 1456 3476626 91548156 91498517 1-0 20: 117 313 73 75 132 129 145 314 55 131 118 328 133 57 69 201 74 116 315 130 1.000 20.62 44.5 94 99 99 100 328 163.4 1.260 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6593 2075.4 2.8 scans 31% 305 m/z 5.9% 0.00994% 1480 1.0 87 16734 271026 256145 3-1 13: 305 217 318 306 319 265 307 320 291 367 432 192 219 0.982 21.75 -7.5 85 86 69 86 507 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9550 2100.3 2.7 scans 74% 327 m/z 1.0% 0.0736% 1508 1.2 238 91894 2005260 1889201 2-2 13: 327 117 132 129 145 328 342 329 201 118 146 116 283 0.961 22.33 -32.7 95 97 93 98 342 29.6 1.543 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1042 C18:2 23.0567 2196.5 >8 scans 59% 129 m/z (342) 0.097% 2.59% 1613 1.8 876 1028071 8.54% 70591460 68400302 232647984 5-0 20: 129 117 131 149 143 72 111 152 201 130 179 215 118 139 119 206 167 99 146 57 0.970 22.53 45.7 84 92 87 95 352 54.5 0.387 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1850 2208.0 6.2 scans 97% 75 m/z 0.040% 8.28% 1625 0.3 1670 2472452 11.9% 225574020 214071286 324181618 0-7 20: 75 73 129 117 55 145 69 133 96 74 68 123 82 83 132 76 97 61 116 134 0.994 23.12 6.2 98 97 99 97 350 118.2 0.501 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1036 C18:0 23.4071 2228.3 2.8 scans 92% TIC 0.10% 0.818% 1646 1.2 766 944775 0.848% 22304489 21074871 23101346 2-3 0.979 22.89 46.5 93 99 95 99 356 95.7 1.560 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1004 Prostaglandin 23.7564 2260.3 3.0 scans 46% 73 m/z 1.4% 0.0384% 1679 1.0 190 68375 0.0991% 1048212 1048212 2699697 0-0 20: 73 169 231 143 156 211 147 182 181 195 81 170 183 221 235 232 74 360 317 141 0.916 23.76 -0.1 90 90 78 90 360 17.2 0.819 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1012 Androsterone 24.23min 24.2762 2308.1 >3 scans 55% TIC 0.70% 0.0289% 1729 1.4 153 142441 0.151% 789014 600716 4113565 0-2 0.963 24.23 4.3 89 88 85 89 362 9.7 0.404 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1018 myo-Inositol 25.2158 2397.4 3.2 scans 79% TIC 0.35% 0.284% 1818 1.1 417 284069 0.457% 7751153 6446383 12449664 3-0 0.962 25.21 0.6 96 94 94 99 470 28.1 0.452 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6167 2437.0 3.1 scans 52% 91 m/z (73) 0.40% 0.0829% 1856 1.3 224 247986 2260359 1960996 2-4 18: 91 117 194 207 92 115 65 208 193 104 312 51 118 195 179 128 178 116 0.969 25.61 0.7 94 95 95 98 312 24.5 1.200 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2995 2504.8 3.0 scans 34% 204 m/z 1.1% 0.0312% 1921 1.0 153 87138 0.0369% 850185 680404 1005235 13-0 8: 204 217 205 219 206 218 232 305 0.947 25.86 44.1 85 90 91 97 361 4.3 0.000 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5584 2531.5 2.8 scans 39% 512 m/z (218) 1.1% 0.0598% 1946 1.0 205 88041 1631442 1596028 0-1 16: 512 455 247 513 456 514 483 248 263 349 457 497 249 423 235 484 0.960 26.57 -1.6 93 94 85 96 512 63.2 9.495 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9319 2570.1 2.8 scans 90% 371 m/z 0.051% 1.04% 1981 0.8 889 1937205 28335415 27765834 1-1 20: 371 73 372 147 57 129 205 203 239 55 71 103 373 459 116 75 145 101 85 117 1.000 26.39 55.5 90 98 98 100 459 107.8 1.473 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1010 Sucrose 27.4212 2621.4 2.9 scans 37% 361 m/z (397) 0.54% 0.109% 2028 1.0 276 183319 2988872 2876426 0-11 11: 361 362 437 363 271 451 438 452 439 364 272 0.891 27.58 -16.8 96 98 90 98 437 50.7 3.371 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN LQC1-N1008 Sucrose 27.4212 2621.4 2.9 scans 31% 361 m/z 0.54% 0.0893% 2028 1.0 254 183934 2435108 2343496 0-11 11: 361 362 437 363 271 451 438 452 439 364 272 0.709 27.59 -18.1 97 98 83 98 437 50.7 3.967 -0.170 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7291 2764.2 2.7 scans 91% TIC 0.077% 0.650% 2152 0.9 736 1297915 17712595 17161067 1-3 1.000 28.19 60.3 89 98 98 100 487 91.2 1.537 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1034 Nonacosane 29.5119 2852.3 2.8 scans 78% 57 m/z 0.22% 0.227% 2226 0.9 413 445312 6201504 6040757 2-1 20: 57 71 85 55 99 56 69 83 365 97 70 113 127 111 84 141 58 393 155 98 0.996 29.50 0.8 96 93 98 99 408 13.8 0.111 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8349 2888.6 2.9 scans 79% 57 m/z 0.21% 0.225% 2257 1.1 415 458321 6154772 5691302 1-4 20: 57 71 85 55 99 69 83 56 97 113 70 84 127 111 141 98 112 58 86 155 0.995 29.83 0.9 97 95 99 100 408 25.3 0.372 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4200 2957.5 3.0 scans 62% 193 m/z (57) 0.73% 0.147% 2313 1.0 311 136079 4005472 3832414 1-2 13: 193 119 105 163 120 91 194 176 171 247 515 325 106 0.987 30.36 7.4 88 90 94 91 529 12.6 0.163 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4662 2963.0 2.7 scans 74% 57 m/z 0.22% 0.205% 2317 1.0 404 439451 0.227% 5608958 4931902 6183969 4-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 365 0.997 30.46 0.4 100 99 99 100 393 89.6 4.926 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2207 3052.6 2.8 scans 86% 57 m/z 0.090% 0.601% 2389 0.8 670 1107110 16385454 15877471 3-1 20: 57 71 85 55 99 69 56 83 97 113 393 70 127 111 141 84 155 98 421 82 0.996 31.21 1.1 99 97 99 100 393 98.5 2.161 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1048 Hentriacontane 31.5258 3088.8 3.1 scans 84% TIC 0.079% 0.875% 2418 0.5 705 1254156 0.909% 23842360 18840085 24763117 7-1 0.998 31.53 -0.7 99 98 100 98 436 38.1 0.292 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8173 3123.4 2.8 scans 69% 502 m/z 0.19% 0.248% 2445 1.0 423 515340 6758019 6518062 1-0 15: 502 237 503 73 236 238 504 277 221 74 505 223 239 208 278 0.982 31.79 3.0 100 99 96 99 502 201.7 22.725 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9604 3140.4 3.1 scans 88% 329 m/z 0.13% 1.33% 2459 0.6 946 724692 36258282 34469985 1-0 19: 329 129 368 353 95 458 75 121 107 119 81 57 145 105 330 369 328 93 55 0.999 31.87 11.0 97 95 95 98 458 135.6 2.056 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1129 3158.5 3.1 scans 35% 57 m/z 0.43% 0.115% 2474 1.0 293 230992 0.224% 3134915 3030246 6102242 2-1 18: 57 71 56 85 421 99 83 97 70 420 422 113 127 111 84 141 58 393 0.988 32.11 0.3 98 98 98 98 421 63.6 4.722 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1004 Campesterol 32.7821 3238.0 4.1 scans 62% TIC 0.44% 0.387% 2537 1.0 504 226411 10552971 10012318 0-1 0.904 32.21 67.9 85 96 91 98 472 71.3 2.002 0.572 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1046 Stigmasterol 32.9989 3263.8 3.6 scans 89% 83 m/z 0.096% 2.06% 2558 0.5 1110 1038174 2.47% 56162192 54170651 67288117 1-0 20: 83 129 255 55 69 394 81 73 484 159 133 119 75 145 105 107 351 97 95 93 0.997 32.98 2.0 97 95 98 98 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0957 3275.3 4.5 scans 42% TIC 0.27% 0.101% 2567 1.5 379 368993 1.36% 2770262 2770262 37049328 0-0 0.953 33.10 -0.1 83 83 96 92 515 5.6 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3461 3305.0 3.4 scans 8.5% 99 m/z 3.8% 0.0280% 2591 0.9 138 26014 763389 705726 3-0 8: 99 437 529 199 438 530 287 200 0.710 33.38 -3.9 86 90 74 89 529 24.6 3.200 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN WTF2-N1034 b-Sitosterol 33.4818 3321.1 3.5 scans 76% 129 m/z 0.20% 0.930% 2604 0.7 770 486373 1.22% 25359216 23904009 33235426 1-4 19: 129 357 396 486 381 95 75 119 121 57 107 358 145 81 105 397 356 159 55 0.998 32.88 71.8 86 97 98 99 486 107.6 1.952 0.605 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5944 3334.5 3.2 scans 63% 386 m/z 0.58% 0.409% 2614 0.8 515 169504 11146946 10547322 1-3 7: 386 296 281 387 119 257 159 0.991 33.58 1.2 94 92 95 98 505 6.8 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2226 3409.1 3.4 scans 26% 99 m/z 0.82% 0.0782% 2674 1.0 221 121533 2133025 1929518 4-2 8: 99 499 169 500 100 383 451 501 0.953 34.22 0.4 96 97 92 96 499 56.3 6.504 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5803 3451.6 3.6 scans 31% 596 m/z 0.52% 0.102% 2708 1.0 243 189713 2802411 2796028 0-2 15: 596 597 598 331 316 302 599 318 315 356 332 317 301 287 286 0.934 34.47 12.9 96 95 87 99 596 122.4 25.478 0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN EXBLK5S-N1006 Contamination 6.3741 1048.4 4.3 scans 49% 207 m/z (144) 1.4% 0.0432% 27 3.2 135 67326 0.0465% 1219429 1216742 1310210 0-1 8: 207 295 208 209 296 297 191 193 0.956 6.63 -14.9 86 87 73 88 295 33.2 6.099 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1192 Contamination 8.0060 1145.2 2.7 scans 94% 73 m/z 0.069% 0.805% 182 0.7 715 1432953 22683512 19672568 6-1 20: 73 147 133 220 235 148 59 146 72 86 74 75 89 160 149 103 100 131 134 236 0.998 7.99 1.0 98 97 97 98 235 145.8 4.158 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1188 Contamination 8.3280 1164.3 4.3 scans 57% 281 m/z 7.5% 0.0114% 213 2.0 72 13221 323850 297737 1-1 8: 281 369 282 371 283 370 265 207 0.960 8.41 -5.1 83 83 58 87 369 19.3 7.239 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1186 Phosphate 8.5342 1176.5 2.3 scans 97% 241 m/z 0.043% 0.531% 233 0.8 673 2310179 14976902 14188720 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 75 181 121 134 1.000 8.56 -1.5 100 99 99 100 299 0.0 0.000 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1180 Benzoic acid 9.6895 1244.4 3.4 scans 17% 179 m/z 9.0% 0.00539% 342 0.7 50 10996 0.00565% 152122 128121 159198 2-0 7: 179 105 135 77 180 51 194 0.638 9.76 -4.1 92 94 85 94 194 8.7 3.065 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN VEN77_S6-N1002 Glycerol 10.0694 1266.6 6.6 scans 97% 299 m/z 0.011% 6.59% 379 0.3 1454 8477162 185766879 185641996 1-0 20: 299 73 314 133 283 207 211 193 191 135 74 225 75 131 284 59 115 208 119 189 0.998 10.09 -1.4 98 96 92 98 299 788.1 29.525 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6796 1302.4 3.4 scans 86% 199 m/z 1.3% 0.0714% 437 0.8 200 73442 0.0724% 2012828 1942028 2039983 6-1 19: 199 75 117 73 145 132 200 55 129 131 67 81 74 61 76 201 72 119 53 0.995 10.73 -3.2 93 90 83 99 209 5.3 0.000 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0163 1322.7 2.9 scans 73% 184 m/z 2.8% 0.0190% 469 0.8 113 35699 535869 534346 1-0 19: 184 134 285 174 86 77 185 227 100 59 286 172 130 175 186 135 110 78 287 0.966 11.06 -2.8 98 98 93 98 285 34.4 9.301 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3846 1344.8 4.7 scans 89% TIC 0.54% 0.112% 504 0.6 221 184910 0.156% 3160447 2904946 4395544 1-0 0.988 11.45 -3.7 98 96 96 99 145 62.9 8.112 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN TAB_REP6-N1026 Malic acid 13.4616 1473.1 2.6 scans 90% TIC 0.54% 0.0720% 701 0.8 236 185125 0.0933% 2030182 1868098 2628873 2-2 0.985 13.53 -4.5 96 95 93 95 335 27.9 1.396 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9572 1504.5 2.7 scans 42% 156 m/z 3.3% 0.00669% 748 1.2 70 29884 188766 188766 1-0 6: 156 157 258 232 230 158 0.969 14.11 -10.2 84 81 80 91 273 0.0 0.000 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2708 1525.3 2.7 scans 65% 263 m/z 0.79% 0.0307% 778 0.9 152 126230 865634 840583 1-1 17: 263 264 278 239 265 447 279 448 175 449 128 207 247 280 191 205 131 0.973 14.33 -3.7 86 81 85 96 278 38.2 6.299 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6685 1551.7 2.8 scans 43% 174 m/z 4.6% 0.00471% 816 1.0 58 21528 0.00495% 132968 124819 139474 1-0 7: 174 175 176 86 250 100 59 0.977 14.16 33.4 81 85 70 88 250 11.8 4.197 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1044 Dodecanol 14.7232 1555.3 2.7 scans 67% 243 m/z 2.0% 0.0166% 821 1.0 112 49082 469681 469681 1-0 11: 243 244 103 89 97 245 101 61 111 76 115 0.980 14.24 31.9 93 96 89 97 243 60.0 28.575 0.481 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1879 1654.9 2.7 scans 52% 290 m/z (195) 1.1% 0.0211% 960 1.9 117 88518 597259 589911 0-1 7: 290 291 292 392 144 293 115 0.989 16.28 -6.2 95 96 89 97 392 18.7 2.562 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5362 1679.1 2.9 scans 65% TIC 3.0% 0.0104% 993 0.9 107 32704 0.0872% 295256 295256 2456996 0-0 0.992 16.63 -6.3 89 90 90 89 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1010 Glycerol-P 17.4768 1746.7 4.4 scans 91% 69 m/z 0.033% 3.34% 1083 0.8 1361 3026488 8.24% 94306229 94306229 232174891 0-0 16: 69 71 57 111 83 161 125 97 112 84 154 126 110 109 238 68 1.000 16.97 37.2 96 99 99 99 445 212.3 2.435 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN TAB_REP6-N1048 Citric acid 18.2397 1802.5 3.0 scans 85% TIC 0.72% 0.0812% 1155 1.3 228 138517 0.0998% 2288151 2197102 2812021 0-1 0.987 18.24 -0.3 96 94 91 99 465 29.0 1.613 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4280 1816.9 4.1 scans 95% TIC 0.029% 3.93% 1173 0.5 1374 3378773 110811926 104234149 1-2 0.980 17.91 38.7 96 99 98 100 327 129.7 0.892 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1012 Phytol 18.5627 1827.1 3.0 scans 97% 68 m/z 0.064% 1.84% 1186 0.6 1095 1540777 2.06% 52110633 51397281 58043723 1-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 56 79 110 70 1.000 18.04 39.0 94 98 99 99 278 64.3 0.346 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1016 Hexadecene 18.6237 1831.8 3.0 scans 91% TIC 0.29% 0.247% 1192 1.4 399 340492 5.84% 6976745 6626442 164551137 0-1 0.998 18.10 39.4 83 83 92 97 280 55.6 1.944 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6490 1833.7 2.7 scans 46% 285 m/z (70) 2.0% 0.0318% 1194 1.1 146 49603 0.890% 898427 785313 25077142 12-1 15: 285 117 132 129 286 145 118 116 130 201 61 300 76 257 241 0.946 18.73 -6.0 93 95 82 95 300 13.3 0.829 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1076 Pregnane?? 18.7689 1842.9 2.6 scans 59% 345 m/z 2.2% 0.0233% 1205 1.0 131 45130 656714 656714 0-1 10: 345 255 346 347 334 435 239 257 419 372 0.862 18.86 -6.8 83 82 67 83 537 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1002 Phytol 18.8min 18.8521 1849.2 2.6 scans 94% 81 m/z 0.38% 0.297% 1213 1.1 463 257770 8381832 8012809 1-3 20: 81 82 68 95 57 123 69 55 83 79 67 96 71 124 97 109 53 110 56 111 0.999 18.84 0.9 99 98 99 99 278 51.2 1.221 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9457 1856.3 3.2 scans 67% TIC 1.5% 0.0322% 1222 1.4 145 63530 0.259% 908448 808041 7297730 0-1 0.985 18.40 41.3 88 92 89 95 364 13.3 0.835 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1018 Fructose 18.9457 1856.3 2.8 scans 62% 73 m/z 1.7% 0.0269% 1222 0.9 141 58055 0.0432% 758215 702614 1217228 2-1 19: 73 103 307 217 147 308 218 277 104 309 189 133 89 205 74 364 117 148 172 0.993 18.52 32.0 88 90 90 93 364 13.5 0.925 0.421 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1004 1868.1 2.8 scans 93% 81 m/z (73) 0.18% 0.611% 1237 0.8 651 537347 17232526 16698369 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 53 111 56 0.999 18.58 39.7 91 95 98 99 278 86.0 1.743 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN BRA4_R~2-N1004 Galactose 19.2656 1880.7 2.7 scans 42% 319 m/z 3.4% 0.0145% 1253 1.0 101 29319 0.0345% 409864 409864 972091 0-0 13: 319 205 160 320 206 321 161 229 148 89 189 157 218 0.981 19.36 -7.4 90 90 81 90 364 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9169 1932.1 2.8 scans 70% 204 m/z 0.43% 0.0812% 1314 1.2 233 229027 2290740 2119016 2-3 17: 204 217 159 205 147 206 129 218 103 191 189 133 160 305 219 291 243 0.971 19.91 0.4 97 95 94 98 361 10.7 0.212 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7944 2002.7 2.8 scans 95% TIC 0.15% 0.815% 1398 0.8 773 644165 0.939% 22979381 22125868 26457794 1-3 0.998 20.27 42.5 83 83 94 99 322 52.2 0.455 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1038 C16:0 21.1606 2033.5 3.5 scans 97% 313 m/z 0.027% 3.41% 1433 0.4 1388 3606247 96279141 92007417 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 315 69 74 285 269 1.000 20.62 45.2 94 99 99 100 328 159.1 1.315 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6635 2075.8 2.8 scans 36% 305 m/z 5.2% 0.0125% 1481 1.0 91 19164 354134 319590 3-3 16: 305 217 318 191 306 265 319 307 192 320 432 291 367 433 266 219 0.986 21.75 -7.1 88 88 72 88 507 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9623 2100.9 3.3 scans 73% TIC 1.4% 0.0773% 1509 0.7 211 70735 0.158% 2179404 1999834 4451897 0-1 0.968 22.33 -32.1 94 96 92 98 342 24.8 1.384 -0.368 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1040 Phytol 22.6273 2159.0 3.4 scans 95% 143 m/z 0.027% 1.20% 1572 0.9 848 3586796 33875494 33134855 3-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 97 83 82 67 74 96 1.000 22.08 47.5 80 82 90 97 181 13.3 0.025 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1042 C18:2 23.0682 2197.5 >4 scans 66% 337 m/z (342) 0.19% 1.31% 1614 0.6 766 519343 5.98% 36978491 36342720 168495856 1-0 11: 337 75 338 220 262 97 339 60 200 235 353 0.966 22.53 46.7 85 93 94 98 352 46.8 0.373 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1913 2208.6 6.0 scans 92% TIC 0.037% 9.15% 1626 0.2 1653 2649645 10.6% 257854723 231767345 298671583 0-8 0.987 23.12 6.8 97 96 97 96 350 115.7 0.490 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1036 C18:0 23.4133 2228.9 2.6 scans 92% TIC 0.092% 0.906% 1647 1.0 792 1079560 0.938% 25541426 22830632 26429617 3-5 0.996 22.89 47.1 93 99 97 99 356 99.8 1.587 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1004 Prostaglandin 23.7616 2260.8 4.8 scans 52% TIC 1.0% 0.0510% 1680 0.5 215 93718 0.286% 1439593 1439593 8058497 0-0 0.935 23.76 0.4 91 91 82 91 360 18.4 0.730 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN N479_R~1-N1006 17-Methyltestosterone 23.8605 2269.8 3.3 scans 42% 293 m/z (79) 2.3% 0.0345% 1689 1.3 146 43109 0.0473% 972145 963397 1332751 1-0 14: 293 360 345 58 346 265 407 294 331 257 361 318 181 221 0.947 23.88 -1.5 83 85 75 85 450 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1006 Androsterone 23.9016 2273.5 3.0 scans 51% 143 m/z 0.93% 0.0675% 1693 0.7 201 107413 0.117% 1903077 1671188 3296658 5-0 13: 143 187 144 135 255 188 270 256 156 157 159 120 202 0.931 23.89 1.1 89 86 79 96 345 3.6 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1010 Epitestosterone 23.9689 2279.7 3.0 scans 29% 143 m/z 2.6% 0.0173% 1700 1.1 110 37769 0.0993% 487723 469292 2797933 0-1 11: 143 135 144 360 187 270 255 175 157 345 188 0.861 23.96 0.8 82 84 72 83 360 11.6 1.111 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1488 2296.1 3.4 scans 27% 204 m/z (333) 0.98% 0.0306% 1717 0.9 132 101176 0.0437% 863777 861270 1231316 0-1 15: 204 205 217 337 147 103 206 338 219 218 361 191 339 203 189 0.912 24.01 12.6 86 89 69 89 490 0.0 0.000 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1012 Androsterone 24.23min 24.2383 2304.5 3.1 scans 65% 143 m/z 0.21% 0.0996% 1725 1.2 276 469111 0.246% 2806773 2805532 6931435 1-0 18: 143 73 144 75 156 145 272 170 115 74 155 219 130 169 279 362 107 157 0.981 24.23 0.7 97 97 95 96 362 17.5 0.400 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1018 myo-Inositol 25.2189 2397.7 3.5 scans 76% TIC 0.45% 0.220% 1818 1.1 356 219330 0.374% 6219504 5583954 10538035 2-0 0.963 25.21 0.9 97 95 94 100 470 23.9 0.451 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6250 2437.8 3.3 scans 49% 91 m/z 0.56% 0.0533% 1857 1.3 178 175995 1503454 1405805 3-2 18: 91 117 194 207 92 115 193 208 312 65 118 104 51 178 116 102 63 179 0.925 25.61 1.5 96 96 94 97 312 21.0 1.398 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1024 Steroid 26.19min 2494 26.2059 2495.3 4.1 scans 32% TIC 1.6% 0.0134% 1912 1.1 137 60030 0.0548% 377671 377671 1544076 0-0 0.918 26.19 1.2 88 90 86 92 347 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3058 2505.5 3.2 scans 41% 204 m/z 0.73% 0.0584% 1922 1.1 186 136319 0.0648% 1648101 1245861 1825841 16-0 8: 204 217 205 219 206 218 293 220 0.932 25.86 44.8 87 92 92 98 361 6.5 0.000 0.450 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5625 2532.0 2.8 scans 29% 512 m/z 1.4% 0.0464% 1946 1.1 183 69629 1307521 1219029 1-1 16: 512 455 247 513 456 514 483 248 349 263 457 497 423 484 235 409 0.939 26.57 -1.1 94 94 79 95 512 64.5 12.382 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9392 2570.9 2.7 scans 90% 371 m/z 0.039% 1.26% 1982 0.7 965 2536156 35765177 34470527 2-0 20: 371 372 73 147 57 129 205 203 239 373 55 71 103 459 116 75 145 101 85 117 1.000 26.39 56.3 90 98 98 100 459 120.2 1.556 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1008 Sucrose 27.4254 2621.8 2.8 scans 44% 361 m/z (397) 0.39% 0.142% 2028 1.0 314 254648 4028490 3698884 1-4 10: 361 362 437 363 271 451 438 439 364 452 0.956 27.59 -17.7 96 97 93 98 437 57.2 3.317 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN LQC1-N1010 Sucrose 27.4254 2621.8 2.8 scans 43% 361 m/z 0.39% 0.130% 2028 1.0 310 254785 3664760 3364915 1-4 10: 361 362 437 363 271 451 438 439 364 452 0.935 27.58 -16.4 98 97 90 98 437 57.3 3.419 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7353 2764.9 2.7 scans 92% 399 m/z 0.063% 0.841% 2153 0.8 772 1583397 23699875 23557050 1-0 20: 399 400 73 147 129 57 205 203 401 103 55 487 71 145 116 117 75 85 267 101 1.000 28.19 61.0 89 98 97 100 487 96.0 1.547 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1034 Nonacosane 29.5171 2852.9 2.9 scans 75% 57 m/z 0.26% 0.189% 2227 0.9 370 382829 5331131 5120124 1-2 20: 57 71 85 55 99 56 69 365 83 97 70 113 127 84 141 111 393 366 155 98 0.997 29.50 1.4 95 93 98 99 408 13.6 0.135 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8412 2889.3 2.9 scans 81% 57 m/z 0.20% 0.246% 2258 0.9 415 485268 6959307 6749441 1-6 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 58 112 155 72 0.996 29.83 1.6 97 95 99 100 408 25.3 0.372 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4283 2958.5 3.2 scans 55% 193 m/z (204) 0.67% 0.171% 2313 1.0 312 147421 4843600 4418672 2-2 15: 193 119 105 163 120 194 176 91 171 515 247 121 325 106 248 0.980 30.36 8.4 89 91 90 92 529 13.7 0.194 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4715 2963.6 3.0 scans 64% 57 m/z 0.35% 0.144% 2318 0.8 308 279714 0.185% 4080443 3746074 5212664 2-1 18: 57 71 85 56 393 55 83 99 97 70 392 113 394 127 84 141 58 365 0.992 30.46 1.0 99 98 98 99 393 69.3 5.066 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2227 3052.8 2.9 scans 84% 57 m/z 0.10% 0.538% 2389 0.8 616 980548 15160581 14374880 2-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 421 98 58 0.995 31.21 1.3 99 97 99 100 393 92.4 2.247 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1048 Hentriacontane 31.5289 3089.2 2.8 scans 82% 57 m/z 0.081% 0.653% 2418 0.8 680 1226835 18413368 17545771 1-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 112 155 58 82 1.000 31.53 -0.3 99 98 100 98 436 38.4 0.318 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6889 3108.2 7.2 scans 16% 204 m/z 1.7% 0.0110% 2433 1.2 115 56596 0.0888% 311658 296917 2502079 0-1 10: 204 597 205 103 598 337 73 206 217 191 0.759 31.68 1.6 83 86 78 86 597 14.9 1.686 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8214 3123.9 2.9 scans 67% 502 m/z 0.20% 0.215% 2446 0.9 392 489716 6068246 6043645 0-1 14: 502 237 503 236 238 504 277 221 223 208 239 505 278 224 0.979 31.79 3.5 99 99 96 99 502 189.4 23.400 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9624 3140.7 3.3 scans 87% 329 m/z 0.16% 1.16% 2459 0.6 829 589643 32761925 31456523 1-1 19: 329 129 368 353 458 95 75 330 107 121 81 105 145 119 57 328 369 55 93 0.998 31.87 11.3 97 95 95 98 458 121.2 2.139 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1160 3158.9 3.1 scans 31% 57 m/z 0.53% 0.0869% 2474 0.9 256 186831 0.182% 2449266 2426768 5128135 1-1 16: 57 71 56 85 421 83 97 99 420 70 422 113 84 141 393 392 0.989 32.11 0.7 97 97 97 97 421 57.3 5.019 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1004 Campesterol 32.7884 3238.8 4.2 scans 59% TIC 0.50% 0.340% 2538 1.0 461 198274 9581661 9010042 1-5 0.869 32.21 68.7 84 95 91 98 472 64.8 1.977 0.578 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1002 Stigmasterol 32.9715 3260.5 3.2 scans 92% 309 m/z (437) 0.32% 0.812% 2555 1.3 674 310173 22901761 21365688 2-1 19: 309 665 574 666 294 575 667 308 293 576 280 439 383 668 322 307 279 349 264 0.999 32.42 65.6 85 97 98 98 665 33.2 0.243 0.552 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1046 Stigmasterol 32.9999 3263.9 3.3 scans 88% 83 m/z 0.099% 1.80% 2558 0.5 1057 1000062 1.83% 50871529 48813675 51563113 1-0 19: 83 129 55 255 69 81 394 484 75 133 159 105 119 145 93 107 95 97 91 0.998 32.98 2.1 97 96 98 98 665 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.0967 3275.4 3.7 scans 42% TIC 0.34% 0.0732% 2567 1.3 330 291941 1.00% 2064155 2026322 28176564 0-1 0.971 33.10 -0.0 82 80 96 93 515 8.6 0.000 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3524 3305.7 3.4 scans 11% 99 m/z 3.1% 0.0358% 2591 0.9 150 31807 1008989 872224 2-2 12: 99 437 189 529 199 438 530 287 439 452 200 288 0.759 33.38 -3.2 90 94 78 93 529 26.8 3.201 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN WTF2-N1034 b-Sitosterol 33.4818 3321.1 3.5 scans 70% 129 m/z 0.28% 0.634% 2604 0.7 632 355622 0.816% 17874656 16499374 22992077 2-4 19: 129 357 396 486 381 95 107 119 121 75 358 57 145 81 397 356 105 159 55 0.996 32.88 71.8 85 97 98 99 486 89.6 2.012 0.605 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5965 3334.7 3.5 scans 52% 386 m/z 0.89% 0.276% 2615 0.9 392 112210 0.308% 7796927 7286830 8678382 5-2 6: 386 296 281 387 257 371 0.981 33.58 1.4 92 91 93 96 505 9.5 0.058 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8943 3370.1 3.5 scans 7.5% 441 m/z 2.2% 0.0150% 2643 1.0 92 44178 424804 403221 1-1 5: 441 442 646 308 443 0.947 33.80 11.7 92 93 75 94 646 16.3 3.144 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2278 3409.7 3.8 scans 31% 99 m/z 0.65% 0.100% 2675 1.1 236 152030 2822969 2607221 3-2 8: 99 499 71 169 500 100 383 257 0.950 34.22 1.0 96 97 92 97 499 61.2 6.700 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5856 3452.2 4.0 scans 29% 596 m/z 0.55% 0.106% 2709 1.0 230 179582 3014109 2876060 1-5 15: 596 597 598 331 316 302 599 315 356 318 303 300 301 342 288 0.926 34.47 13.5 96 94 86 99 596 114.7 24.796 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 5.0 scans 25% 207 m/z 2.3% 0.0155% 27 2.4 79 42387 504486 501024 0-5 8: 207 295 208 209 296 191 297 193 0.790 6.63 -15.0 88 89 59 89 295 28.9 13.342 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1192 Contamination 8.0493 1147.7 2.8 scans 95% 73 m/z 0.14% 0.382% 187 0.6 496 692123 12392154 11014455 19-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 100 75 149 131 134 236 0.999 7.99 3.5 97 96 96 97 235 99.4 4.020 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1188 Contamination 8.3387 1164.9 7.8 scans 72% TIC 4.8% 0.0260% 214 2.1 91 20461 845165 761428 0-1 0.991 8.41 -4.5 87 86 62 90 369 22.8 6.326 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1186 Phosphate 8.5702 1178.6 2.1 scans 98% 241 m/z 0.066% 0.270% 236 1.1 540 1502890 8756461 8756461 0-0 19: 241 242 133 73 211 163 256 243 135 195 98 59 89 119 147 137 257 134 212 1.000 8.56 0.6 100 99 99 100 299 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN VEN77_S6-N1002 Glycerol 10.0916 1267.9 6.5 scans 96% TIC 0.011% 6.08% 381 0.2 1502 8554727 197213067 196696454 2-0 1.000 10.09 -0.1 97 96 92 98 299 791.6 27.894 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7019 1303.7 3.4 scans 89% 199 m/z 1.4% 0.0734% 439 0.6 213 67757 2381209 2244701 4-1 20: 199 75 117 73 145 132 200 129 131 76 201 61 96 118 81 155 133 146 53 72 0.997 10.73 -1.9 88 82 70 99 209 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0376 1323.9 3.0 scans 49% 184 m/z 8.4% 0.00660% 470 0.8 71 11770 0.00727% 214247 214247 235720 0-0 9: 184 134 285 174 86 100 185 59 286 0.966 11.06 -1.6 84 84 59 88 285 20.1 8.097 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4006 1345.8 6.2 scans 85% TIC 0.64% 0.100% 505 0.6 199 155539 0.146% 3243829 2917619 4733847 3-0 0.976 11.45 -2.7 97 96 95 99 145 56.7 8.130 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1146 Malic acid 13.4723 1473.8 2.5 scans 95% TIC 0.15% 0.198% 702 1.0 432 640374 6422525 6240228 2-1 1.000 13.62 -9.0 99 98 97 98 350 7.9 0.034 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9679 1505.2 2.8 scans 47% 156 m/z 1.7% 0.0116% 749 1.1 98 56473 378298 378298 0-0 8: 156 157 258 230 158 232 74 148 0.845 14.11 -9.5 93 92 88 96 273 0.0 0.000 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2815 1526.0 2.7 scans 58% 263 m/z (173 111) 0.67% 0.0277% 779 0.9 154 147549 899373 874011 1-1 16: 263 264 278 265 447 279 175 247 207 335 280 105 191 149 131 266 0.987 14.33 -3.0 88 90 80 94 278 40.4 6.935 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1044 Dodecanol 14.7329 1556.0 2.7 scans 64% 243 m/z 1.5% 0.0189% 822 0.9 125 66070 614733 614733 1-0 11: 243 244 103 89 97 101 61 76 111 115 241 0.870 14.24 32.6 92 96 88 97 243 69.6 31.001 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1965 1655.5 3.0 scans 65% 290 m/z 1.1% 0.0251% 961 1.8 133 84755 0.0329% 816785 768785 1066737 1-0 10: 290 73 291 292 158 392 144 131 393 115 0.888 16.28 -5.6 92 88 82 98 392 17.3 1.675 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN TAB_REP6-N1042 Ribose 16.3017 1662.8 2.7 scans 32% 103 m/z 9.2% 0.00470% 971 1.3 61 10851 0.00951% 152604 134650 308349 0-3 6: 103 307 217 277 160 189 0.884 16.10 13.8 82 83 69 86 307 20.2 11.178 0.199 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5458 1679.8 2.8 scans 70% TIC 1.6% 0.0203% 994 0.7 148 60390 0.0785% 660466 571642 2545253 2-0 0.984 16.63 -5.6 93 93 91 92 210 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1010 Glycerol-P 17.4896 1747.6 2.8 scans 97% 299 m/z 0.027% 2.77% 1084 0.5 1480 3590853 89842244 86910589 1-1 20: 299 357 73 147 315 358 300 370 211 445 103 129 101 359 133 256 301 387 218 131 1.000 16.97 38.1 96 99 99 99 445 228.5 2.387 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN TAB_REP6-N1048 Citric acid 18.2451 1802.9 3.3 scans 79% TIC 0.98% 0.0564% 1156 1.3 195 101969 0.0754% 1831600 1525766 2444740 0-2 0.987 18.24 0.1 97 95 93 99 465 25.9 1.762 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4335 1817.3 4.2 scans 90% 73 m/z 0.031% 3.08% 1173 0.5 1284 3209576 100122248 97518020 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 133 90 77 121 117 75 0.939 17.91 39.1 94 99 93 99 327 125.7 0.959 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1012 Phytol 18.5671 1827.5 3.2 scans 98% 68 m/z 0.073% 1.48% 1186 0.6 1030 1366502 1.63% 48036312 47507063 52850483 1-1 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.4 94 98 99 99 278 59.2 0.330 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6555 1834.2 2.7 scans 57% 285 m/z 1.9% 0.0278% 1195 1.0 148 50795 902937 875749 7-0 13: 285 117 132 129 145 118 201 300 241 116 61 257 146 0.998 18.73 -5.5 95 94 82 94 300 15.1 1.049 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1076 Pregnane?? 18.7754 1843.4 2.7 scans 75% 345 m/z 1.3% 0.0348% 1206 1.1 181 74910 1129514 1126623 0-1 17: 345 73 255 346 147 347 256 334 148 74 149 133 348 239 215 435 257 0.996 18.86 -6.3 88 87 76 87 537 9.0 0.247 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1002 Phytol 18.8min 18.8596 1849.8 2.6 scans 93% 81 m/z 0.39% 0.233% 1214 1.0 458 252667 7573333 7259057 1-3 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 97 124 109 53 56 110 111 0.998 18.84 1.5 98 97 99 98 278 51.6 1.271 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9501 1856.7 2.7 scans 80% 73 m/z 0.59% 0.0698% 1223 1.1 240 167143 0.0717% 2265276 2201761 2324773 3-2 20: 73 103 307 217 147 308 218 277 133 104 309 364 189 205 74 117 89 148 219 172 0.992 18.40 41.7 92 95 96 99 364 22.8 0.904 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1072 Fructose 18.9501 1856.7 2.7 scans 81% 73 m/z (69) 0.59% 0.0743% 1223 1.1 242 166956 0.0763% 2409917 2342347 2473921 3-2 20: 73 103 307 217 147 308 218 277 133 104 309 364 189 205 74 117 89 148 219 172 0.994 19.03 -6.3 90 92 93 92 364 22.8 0.888 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1058 1868.6 2.9 scans 88% 81 m/z (319) 0.21% 0.490% 1237 0.9 610 459812 15912892 15798923 1-0 20: 81 82 95 68 57 123 69 55 83 67 79 71 97 96 109 124 278 53 111 56 1.000 18.58 40.2 91 96 98 99 278 78.8 1.669 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN BRA4_R~2-N1004 Galactose 19.2710 1881.2 2.7 scans 73% 73 m/z 0.86% 0.0509% 1253 1.0 209 115580 0.118% 1650708 1480288 3825986 4-1 20: 73 319 205 160 147 320 217 103 206 321 117 229 74 161 189 148 157 133 207 129 0.999 19.36 -6.9 96 95 93 97 364 12.5 0.355 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9244 1932.7 2.7 scans 81% 204 m/z (71) 0.40% 0.0874% 1315 1.2 264 249931 2835818 2599498 3-2 14: 204 217 205 159 147 206 129 218 191 160 219 305 291 243 0.991 19.91 1.0 94 94 94 98 361 11.8 0.200 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8019 2003.4 2.9 scans 92% 73 m/z 0.16% 0.713% 1399 0.8 739 591668 0.778% 23140261 22614169 25225568 1-1 20: 73 75 79 67 93 95 129 91 55 108 80 81 94 307 121 77 107 135 145 105 0.995 20.27 43.2 83 84 94 99 322 49.3 0.446 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1038 C16:0 21.1702 2034.3 3.8 scans 98% 313 m/z 0.027% 3.27% 1434 0.3 1388 3572313 106119815 104136853 0-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 315 57 69 201 74 269 285 116 1.000 20.62 46.0 94 99 99 100 328 158.5 1.305 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6690 2076.2 2.8 scans 24% 305 m/z 6.1% 0.00866% 1481 1.0 84 16247 281094 277215 0-3 10: 305 318 306 319 265 307 291 432 192 320 0.959 21.75 -6.7 85 86 69 86 507 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9699 2101.6 3.4 scans 74% TIC 1.0% 0.0875% 1510 0.8 237 93291 0.170% 2837875 2656286 5512014 0-1 0.951 22.33 -31.4 95 97 93 98 342 29.1 1.515 -0.360 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1867 2120.5 3.0 scans 23% 396 m/z 6.0% 0.00960% 1530 1.4 85 16515 0.0119% 311555 297835 385841 1-0 7: 396 219 397 381 220 398 307 0.630 22.19 -0.0 85 85 63 89 396 34.8 16.769 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2020 2209.6 6.2 scans 90% 79 m/z 0.037% 7.80% 1627 0.2 1663 2689576 9.19% 253038601 249845486 297972970 0-2 20: 79 75 73 95 93 67 108 81 80 91 55 129 107 94 335 117 121 77 135 149 0.977 23.12 7.8 96 96 96 96 350 113.8 0.469 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1036 C18:0 23.4230 2229.8 2.8 scans 89% 341 m/z 0.096% 0.734% 1648 0.8 768 1032275 23807471 22932397 2-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 201 69 343 74 116 297 0.994 22.89 48.0 93 98 96 99 356 98.4 1.644 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1004 Prostaglandin 23.7702 2261.5 3.0 scans 38% 169 m/z (95) 2.1% 0.0292% 1681 1.2 150 46505 0.0665% 948583 937385 2156170 1-0 18: 169 231 143 211 156 181 360 235 232 196 317 209 221 345 183 223 222 233 0.958 23.76 1.1 82 84 78 85 360 13.0 0.750 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1564 2296.8 3.1 scans 42% 204 m/z (98) 0.97% 0.0353% 1717 0.9 156 102358 0.0483% 1147756 1095526 1566060 1-3 15: 204 205 217 337 147 103 206 219 338 218 191 339 203 361 362 0.960 24.18 -2.3 88 90 86 91 581 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1564 2296.8 3.1 scans 33% 204 m/z 0.96% 0.0243% 1717 0.9 138 103837 0.0332% 789638 753705 1076464 1-3 15: 204 205 217 337 147 103 206 219 338 218 191 339 203 361 362 0.707 24.01 13.3 87 89 70 91 490 0.0 0.000 0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1012 Androsterone 24.23min 24.2468 2305.3 3.3 scans 41% 143 m/z 0.43% 0.0428% 1726 1.2 180 229961 0.0753% 1390000 1289144 2441498 8-0 8: 143 144 156 272 362 170 219 257 0.917 24.23 1.5 93 93 83 93 362 12.2 0.462 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1018 myo-Inositol 25.2254 2398.3 3.5 scans 74% TIC 0.40% 0.208% 1819 1.3 375 243940 0.380% 6764023 6758571 12320972 1-0 0.946 25.21 1.5 96 94 94 99 470 25.2 0.451 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6336 2438.7 3.2 scans 42% 91 m/z 0.61% 0.0417% 1858 1.4 170 163457 0.0545% 1352299 1238976 1767087 4-3 17: 91 117 194 207 92 208 115 193 65 312 104 195 102 116 128 179 63 0.886 25.61 2.4 94 96 93 97 312 20.9 1.517 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1024 Steroid 26.19min 2494 26.2134 2496.1 2.9 scans 18% TIC 3.1% 0.00220% 1913 0.8 88 31896 71506 71506 0-0 0.838 26.19 2.0 85 87 74 89 347 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3134 2506.2 3.0 scans 44% 204 m/z 0.82% 0.0378% 1922 1.3 175 120596 0.159% 1225631 1171994 5155354 3-0 12: 204 217 205 147 219 206 218 305 293 291 220 306 0.936 25.86 45.5 85 90 92 98 361 8.5 0.000 0.457 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5712 2532.9 2.9 scans 42% 512 m/z (218) 1.1% 0.0528% 1947 1.0 202 84286 1714544 1580363 1-3 17: 512 455 247 513 456 483 514 248 263 349 457 484 235 423 409 249 234 0.944 26.57 -0.2 94 95 85 97 512 63.9 9.976 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 2.8 scans 93% 371 m/z 0.031% 1.41% 1983 0.7 1074 3207134 45735029 44797948 1-1 20: 371 372 73 147 129 57 205 203 239 55 373 103 459 71 116 75 145 117 101 85 1.000 26.39 57.4 90 98 97 100 459 134.5 1.574 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN LQC1-N1008 Sucrose 27.4371 2623.1 4.6 scans 52% TIC 0.40% 0.155% 2029 1.6 334 244680 0.556% 5031370 5007765 18027527 2-0 0.864 27.59 -16.4 97 97 88 97 437 54.5 2.667 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7482 2766.4 2.9 scans 91% 399 m/z 0.050% 0.938% 2154 0.7 866 1980876 30432388 29328592 1-1 20: 399 400 73 147 129 57 205 203 103 55 487 401 71 116 145 75 267 117 85 101 1.000 28.19 62.5 89 98 97 100 487 108.2 1.563 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1034 Nonacosane 29.5289 2854.2 3.1 scans 70% 57 m/z 0.24% 0.193% 2228 1.1 385 410691 6288090 5821206 2-9 20: 57 71 85 55 99 56 69 365 83 97 70 113 127 84 111 141 393 366 58 364 0.995 29.50 2.7 95 92 97 99 408 13.3 0.120 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8519 2890.5 3.3 scans 64% 57 m/z 0.30% 0.194% 2259 1.2 340 325932 6295392 4767729 1-24 19: 57 71 85 55 99 69 83 56 113 70 127 84 111 141 98 112 58 86 155 0.994 29.83 2.8 96 93 99 100 408 19.9 0.342 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4401 2959.9 8.3 scans 68% TIC 0.37% 0.255% 2315 0.6 387 265474 0.399% 8290152 7908367 12937020 5-0 0.953 30.36 9.8 92 91 90 93 529 16.1 0.174 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4832 2965.0 3.3 scans 58% 57 m/z 0.29% 0.164% 2319 0.8 338 333738 0.197% 5335983 4859655 6387451 0-6 18: 57 71 56 85 393 55 83 99 70 392 97 394 113 127 84 58 141 365 0.981 30.46 2.4 99 99 98 99 393 77.7 5.264 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2334 3054.1 3.2 scans 72% 57 m/z 0.11% 0.457% 2390 0.8 578 881287 0.472% 14828880 14113654 15303944 5-2 19: 57 71 85 55 99 56 83 97 393 113 70 127 111 141 84 58 98 155 394 0.993 31.21 2.6 100 99 99 100 393 85.7 2.195 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1048 Hentriacontane 31.5375 3090.2 3.1 scans 68% 57 m/z 0.10% 0.443% 2419 0.8 588 928836 14372035 13489588 2-2 19: 57 71 85 55 99 83 97 56 113 70 127 84 111 141 98 155 112 58 72 0.988 31.53 0.7 98 98 99 99 436 33.2 0.317 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6996 3109.5 >4 scans 13% 204 m/z 1.5% 0.0112% 2434 1.8 127 66351 0.128% 364072 361097 4150222 0-1 12: 204 597 217 205 73 337 129 599 598 206 103 362 0.737 31.68 2.9 84 86 79 86 597 15.1 1.406 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8332 3125.3 3.0 scans 54% 502 m/z 0.23% 0.166% 2447 1.0 358 424632 5407989 5250804 1-1 14: 502 237 503 236 238 504 277 221 239 223 208 505 278 224 0.975 31.79 4.9 99 99 94 99 502 176.4 24.230 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9731 3141.9 3.4 scans 85% 329 m/z 0.16% 1.04% 2460 0.7 842 606273 33870976 33015430 1-0 18: 329 129 368 458 353 95 75 119 107 330 121 145 105 81 369 328 55 91 0.999 31.87 12.5 96 94 95 98 458 123.0 2.131 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1289 3160.4 >6 scans 39% TIC 0.44% 0.0894% 2475 0.9 301 223396 0.611% 2900308 2900308 19810825 0-0 0.981 32.11 2.2 97 97 97 98 421 57.6 3.669 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1004 Campesterol 32.8023 3240.4 4.6 scans 51% TIC 0.55% 0.254% 2539 0.9 438 178848 8267050 7687181 0-6 0.873 32.21 70.3 83 95 91 98 472 62.2 2.012 0.592 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1046 Stigmasterol 33.0095 3265.0 3.6 scans 86% 83 m/z 0.11% 1.43% 2559 0.6 986 872579 1.60% 46412483 46412483 51877775 0-0 19: 83 129 55 255 484 394 69 81 75 133 159 119 145 355 105 107 97 95 93 0.994 32.98 3.2 98 96 98 99 665 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN WTF2-N1034 b-Sitosterol 33.4967 3322.9 3.5 scans 74% 129 m/z 0.21% 0.772% 2605 0.7 724 457648 0.990% 25040910 22958361 32099373 13-3 19: 129 357 396 486 381 95 75 145 119 358 57 121 107 397 105 81 356 159 55 0.997 32.88 73.6 85 97 98 99 486 102.3 1.996 0.620 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6146 3336.9 3.2 scans 60% 386 m/z 0.50% 0.393% 2616 0.9 524 197503 12747732 12068094 1-3 7: 386 296 281 387 257 371 159 0.987 33.58 3.6 94 92 95 98 505 3.0 0.000 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9081 3371.7 3.4 scans 4.2% 441 m/z 3.0% 0.00898% 2644 1.1 77 32850 291171 291171 0-1 6: 441 442 308 646 647 443 0.928 33.80 13.3 91 93 72 93 646 13.9 3.250 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2385 3411.0 4.0 scans 8.3% 99 m/z 2.3% 0.0242% 2676 0.7 119 42660 784664 773711 0-1 7: 99 499 500 509 510 451 452 0.737 34.22 2.3 87 89 74 88 499 33.9 8.038 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6026 3454.2 3.9 scans 13% 596 m/z 0.60% 0.0740% 2710 1.0 204 165771 2401106 2315185 1-2 11: 596 597 598 316 599 302 356 318 303 300 304 0.947 34.47 15.5 96 96 89 98 596 110.2 29.044 0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN EXBLK5S-N1006 Contamination 6.3782 1048.7 2.1 scans 71% 207 m/z 0.62% 0.0377% 28 1.1 173 159098 917150 915099 0-1 17: 207 295 208 209 296 191 297 279 193 189 192 177 247 119 210 280 265 0.954 6.63 -14.6 98 97 92 97 295 56.8 10.755 -0.247 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1192 Contamination 8.1017 1150.8 2.7 scans 96% 147 m/z 0.12% 0.548% 192 0.6 514 786465 13324432 12236376 12-0 20: 147 73 133 220 235 148 59 146 86 72 74 160 89 149 100 75 103 131 134 236 0.999 7.99 6.6 97 96 97 97 235 105.4 4.202 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1188 Contamination 8.3185 1163.7 2.3 scans 70% 281 m/z 2.7% 0.0163% 212 1.6 103 36730 397330 337010 1-8 13: 281 147 369 282 283 370 371 148 265 207 249 191 149 0.963 8.41 -5.7 96 96 79 97 369 31.1 9.161 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1186 Phosphate 8.6110 1181.0 2.1 scans 96% 241 m/z 0.13% 0.174% 240 1.1 366 747270 4242113 4234269 0-1 19: 241 242 133 211 73 163 243 256 135 195 98 59 89 119 137 257 134 121 181 0.998 8.56 3.0 100 100 99 100 299 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1180 Benzoic acid 9.7505 1248.0 3.8 scans 34% 179 m/z (217) 10% 0.00535% 348 0.5 43 9929 0.00622% 130101 130101 151177 0-0 3: 179 105 135 0.982 9.76 -0.5 89 93 83 93 194 5.4 1.555 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LACTIC~1-N1034 Glycerol 10.0441 1265.1 >6 scans 18% 218 m/z (261) 0.89% 0.114% 376 0.7 180 112131 0.237% 2781426 2697530 5760264 1-0 3: 218 219 294 0.694 10.11 -3.9 90 96 60 93 293 15.1 0.703 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN VEN77_S6-N1002 Glycerol 10.1114 1269.1 5.7 scans 97% 299 m/z 0.011% 6.43% 383 0.3 1379 8555471 156478875 152276775 1-1 20: 299 73 300 314 133 283 207 315 211 193 191 135 225 284 131 59 115 208 119 134 1.000 10.09 1.1 98 97 93 99 299 770.5 31.423 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7207 1304.9 3.5 scans 71% 199 m/z 1.6% 0.0725% 440 0.6 168 61363 0.0823% 1762940 1565485 2000294 7-6 18: 199 75 117 73 145 132 129 131 118 201 61 74 76 81 119 72 133 155 0.878 10.73 -0.7 95 92 94 99 209 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0521 1324.8 2.6 scans 62% 184 m/z 4.6% 0.0112% 472 0.9 84 21729 0.0119% 273309 273309 289228 0-0 12: 184 285 134 174 86 100 59 172 286 185 135 227 0.948 11.06 -0.7 91 91 84 92 285 27.0 10.222 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1162 Fumaric acid 11.3194 1340.9 >3 scans 41% TIC 9.6% 0.00192% 497 2.0 45 10328 0.0992% 46854 46854 2411047 0-0 0.958 11.39 -4.4 91 93 75 93 245 26.8 35.572 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4109 1346.4 7.4 scans 88% TIC 0.78% 0.113% 506 0.6 177 126928 0.209% 2748922 2748922 5079726 0-0 0.991 11.45 -2.1 98 97 97 99 145 51.3 8.368 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4435 1348.4 3.0 scans 42% 84 m/z (57) 2.2% 0.0151% 509 1.3 85 44150 0.0162% 369307 337042 393740 1-2 9: 84 133 162 161 92 65 51 78 134 0.948 10.96 29.4 84 87 84 92 161 23.0 7.296 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1146 Malic acid 13.4774 1474.1 2.6 scans 94% 73 m/z 0.19% 0.237% 702 1.0 382 520427 5773593 5591956 1-1 20: 73 147 233 245 133 189 148 190 75 74 191 175 149 101 335 234 55 59 217 177 0.996 13.62 -8.7 99 98 97 98 350 8.6 0.051 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9741 1505.6 2.7 scans 32% 156 m/z 3.0% 0.00928% 750 1.1 73 32326 225620 225620 1-0 6: 156 157 258 230 158 232 0.537 14.11 -9.1 84 82 76 90 273 0.0 0.000 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1044 Dodecanol 14.7348 1556.1 2.8 scans 78% 243 m/z 1.1% 0.0335% 822 0.9 141 89436 815838 815838 0-0 12: 243 244 103 89 97 83 245 101 61 111 76 115 0.951 14.24 32.7 93 96 91 97 243 78.8 31.089 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1973 1655.6 3.0 scans 78% 290 m/z 1.0% 0.0381% 961 1.8 140 92493 0.0502% 927422 884576 1220106 1-0 12: 290 73 291 292 158 392 144 131 74 115 59 393 0.981 16.28 -5.5 89 85 77 98 392 18.1 1.675 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5477 1679.9 2.7 scans 86% 55 m/z 0.72% 0.0952% 994 1.1 222 137120 0.121% 2314192 1819716 2940894 9-0 19: 55 83 73 69 56 97 70 84 111 82 127 98 68 113 96 112 140 54 67 1.000 16.63 -5.5 96 95 97 95 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1010 Glycerol-P 17.4821 1747.1 2.8 scans 97% 357 m/z 0.037% 2.59% 1083 0.7 1235 2674918 63113401 61878027 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 129 256 218 328 1.000 16.97 37.6 96 99 99 99 445 195.3 2.504 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN TAB_REP6-N1048 Citric acid 18.2449 1802.9 3.1 scans 71% 273 m/z 1.4% 0.0468% 1156 1.1 156 68977 0.0577% 1139184 1068290 1402393 0-1 19: 273 73 147 363 274 375 347 465 275 376 148 364 211 149 305 231 221 466 183 0.976 18.24 0.1 95 94 90 98 465 22.0 1.978 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4364 1817.5 4.3 scans 88% 312 m/z (310) 0.027% 4.71% 1174 0.5 1325 3581212 114556197 111353791 1-1 20: 312 73 76 135 119 120 132 149 50 136 62 74 118 78 327 58 133 66 213 90 0.999 17.91 39.3 93 99 98 99 327 130.3 0.967 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1012 Phytol 18.5722 1827.9 3.2 scans 97% 68 m/z 0.068% 2.17% 1187 0.5 1043 1463125 2.33% 52775770 51912976 56630439 1-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 85 137 1.000 18.04 39.8 94 98 99 99 278 62.4 0.358 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1016 Hexadecene 18.6311 1832.3 2.9 scans 91% TIC 0.28% 0.286% 1192 1.6 400 353961 7.20% 6974898 6791707 174995347 0-1 0.998 18.10 39.9 83 83 92 97 280 58.1 2.115 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6563 1834.3 2.7 scans 55% 285 m/z (70) 2.0% 0.0367% 1195 1.1 141 49676 0.552% 894036 837897 13416310 13-1 13: 285 117 132 129 145 286 118 287 201 241 130 257 61 0.935 18.73 -5.4 93 95 83 95 300 14.4 1.031 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1076 Pregnane?? 18.7752 1843.3 2.7 scans 82% 345 m/z 0.98% 0.0663% 1206 1.0 207 101259 0.146% 1612906 1581464 3548517 0-3 19: 345 73 147 346 255 347 334 256 74 148 435 133 257 239 149 243 419 372 348 0.998 18.86 -6.4 90 90 81 90 537 11.5 0.307 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1002 Phytol 18.8min 18.8605 1849.8 2.7 scans 94% 81 m/z 0.38% 0.346% 1214 1.1 449 258725 8413320 7686695 1-11 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 97 124 109 53 110 56 278 0.999 18.84 1.5 98 97 99 98 278 51.5 1.313 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1072 Fructose 18.9478 1856.5 2.6 scans 87% 73 m/z 0.39% 0.140% 1222 1.1 292 252536 3407558 3378800 1-0 19: 73 103 307 217 147 308 277 218 133 74 309 205 104 189 364 117 219 89 148 0.994 19.03 -6.5 95 94 95 94 364 28.1 0.926 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1077 1868.7 3.0 scans 96% 81 m/z 0.21% 0.691% 1238 0.8 602 474698 16798642 16746899 1-0 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 40.3 93 96 98 99 278 81.0 1.811 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN BRA4_R~2-N1004 Galactose 19.2708 1881.1 2.8 scans 79% 73 m/z (79) 0.64% 0.101% 1253 0.9 240 155013 0.202% 2475575 2321544 4909592 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 229 74 89 133 207 148 157 161 189 0.995 19.36 -7.0 94 95 94 97 364 14.2 0.348 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1068 Galactopyranose 19.3455 1886.8 2.8 scans 59% 204 m/z 1.9% 0.0296% 1260 1.4 131 50825 719904 700409 0-3 12: 204 191 205 192 206 218 193 189 243 148 305 228 0.967 19.32 2.3 81 79 75 86 435 0.0 0.000 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9242 1932.7 2.9 scans 87% 204 m/z (210) 0.28% 0.164% 1315 1.2 297 354315 4002847 3718342 3-2 16: 204 217 205 159 147 206 129 218 103 191 189 160 133 219 305 291 0.996 19.91 1.0 94 94 95 99 361 13.5 0.207 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2830 1961.5 2.6 scans 31% 204 m/z 2.2% 0.0128% 1349 1.2 91 44746 312517 311863 1-0 9: 204 191 205 217 206 192 218 193 189 0.845 20.41 -10.5 85 86 71 86 217 24.5 7.307 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8039 2003.5 2.9 scans 95% TIC 0.14% 1.16% 1399 0.7 793 707680 1.26% 28436714 26910178 30624186 0-6 0.999 20.27 43.3 82 82 94 97 322 55.5 0.490 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1038 C16:0 21.1627 2033.7 3.4 scans 98% 313 m/z 0.027% 3.84% 1433 0.5 1355 3599529 93402793 93151712 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 201 74 315 116 269 1.000 20.62 45.4 94 99 99 100 328 155.7 1.320 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6688 2076.2 2.8 scans 49% 305 m/z 2.0% 0.0376% 1481 1.0 146 48042 916176 810437 3-3 18: 305 217 318 147 191 306 265 319 307 218 432 320 192 291 367 433 219 221 0.985 21.75 -6.7 92 92 78 92 507 10.2 0.482 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9697 2101.5 3.8 scans 70% TIC 1.5% 0.0934% 1510 0.6 194 65874 0.171% 2271549 2227300 4156139 0-1 0.938 22.33 -31.5 95 97 91 98 342 23.0 1.399 -0.360 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1040 Phytol 22.6305 2159.3 3.5 scans 95% 143 m/z 0.035% 1.11% 1572 0.9 722 2803179 27148224 26643998 3-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 97 83 82 67 74 68 0.998 22.08 47.8 80 82 90 97 181 11.2 0.024 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1042 C18:2 23.0640 2197.1 >6 scans 80% 73 m/z (342) 0.097% 2.06% 1614 1.3 787 1027550 8.57% 50197315 46641560 208293073 4-0 20: 73 74 225 126 229 256 156 469 192 155 218 169 269 59 231 205 471 197 283 101 0.970 22.53 46.3 85 91 95 99 352 45.7 0.337 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2018 2209.6 6.0 scans 93% 79 m/z 0.035% 10.3% 1627 0.2 1664 2812444 11.8% 250424092 250065696 286797930 0-1 20: 79 75 73 95 67 93 108 81 80 91 107 94 129 55 121 77 117 135 149 335 0.993 23.12 7.8 97 96 98 96 350 117.1 0.495 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1036 C18:0 23.4217 2229.7 2.8 scans 91% 341 m/z 0.091% 1.01% 1648 0.7 755 1092122 24630564 23878565 2-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 343 69 201 74 297 313 0.996 22.89 47.9 93 99 97 99 356 97.9 1.685 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1006 Androsterone 23.9099 2274.3 3.0 scans 74% 143 m/z 0.34% 0.159% 1694 0.9 327 288275 0.293% 3879385 3874822 7121338 1-0 16: 143 73 187 144 135 255 145 188 107 93 105 270 121 157 156 159 0.994 23.89 1.9 84 77 79 99 345 17.5 0.288 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1010 Epitestosterone 23.9773 2280.5 3.1 scans 60% 143 m/z 1.0% 0.0719% 1700 1.0 196 94149 0.265% 1748625 1748625 6440801 0-0 16: 143 135 144 80 255 107 187 157 188 134 175 159 345 270 202 360 0.971 23.96 1.6 90 89 90 90 360 13.8 0.498 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1562 2296.8 3.3 scans 38% 204 m/z 0.81% 0.0430% 1717 0.9 147 122574 0.0673% 1046095 987930 1635720 1-2 17: 204 205 217 337 147 103 206 219 338 218 191 361 339 203 101 291 243 0.723 24.18 -2.3 88 90 68 90 581 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2488 2305.5 3.4 scans 80% 143 m/z (180) 0.087% 0.361% 1726 1.1 428 1147514 0.770% 8798182 8281412 18714780 2-0 20: 143 73 144 75 156 145 81 272 69 170 155 74 115 93 109 130 157 169 107 219 0.994 24.23 1.7 97 98 99 98 362 27.8 0.423 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1014 Androsterone 24.3min 24.2898 2309.4 >4 scans 87% 143 m/z 0.089% 0.339% 1730 1.1 421 1120103 0.769% 8252693 8041936 18690475 0-2 20: 143 73 144 75 156 81 145 69 95 109 170 272 219 55 155 74 115 93 157 257 0.999 24.27 1.5 99 98 99 98 362 24.9 0.349 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1018 myo-Inositol 25.2273 2398.5 3.4 scans 74% TIC 0.57% 0.187% 1819 1.2 307 174680 0.364% 4552828 4552166 8846987 1-0 0.952 25.21 1.7 97 96 95 99 470 20.5 0.445 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6345 2438.8 3.5 scans 54% 91 m/z 0.63% 0.0603% 1858 1.4 165 157583 0.0783% 1465726 1333790 1903074 5-2 18: 91 117 194 207 92 115 208 65 193 312 104 118 51 178 179 116 128 195 0.971 25.61 2.5 97 97 96 97 312 19.9 1.457 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1024 Steroid 26.19min 2494 26.2132 2496.1 3.0 scans 53% TIC 1.2% 0.0283% 1913 1.1 153 82021 0.0293% 689900 628126 712134 0-2 0.962 26.19 2.0 91 90 90 93 347 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3153 2506.4 3.2 scans 62% 204 m/z 0.59% 0.0740% 1923 1.3 205 167557 0.310% 1799620 1706410 7534522 4-0 18: 204 73 217 205 147 219 206 218 129 74 191 133 305 189 148 101 220 232 0.976 25.86 45.7 85 88 91 99 361 9.9 0.234 0.459 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5720 2533.0 2.8 scans 51% 512 m/z (218) 1.1% 0.0705% 1947 1.0 198 85333 1715415 1585283 1-1 17: 512 455 247 513 456 514 248 483 263 349 457 484 497 423 249 235 233 0.969 26.57 -0.1 93 95 86 95 512 64.7 10.647 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9487 2571.9 2.9 scans 95% 371 m/z 0.036% 1.65% 1983 0.6 957 2719523 40207601 40072439 0-1 20: 371 372 73 147 129 57 205 203 239 103 459 373 55 71 116 145 117 75 101 85 1.000 26.39 57.3 90 98 98 100 459 121.9 1.627 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1010 Sucrose 27.4327 2622.6 2.9 scans 55% 361 m/z (397) 0.41% 0.171% 2029 1.1 298 242365 0.191% 4179170 3934862 4642238 0-15 17: 361 217 362 437 363 103 271 451 438 218 169 243 319 439 364 452 189 0.966 27.58 -15.6 97 98 94 98 437 55.3 3.446 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN LQC1-N1008 Sucrose 27.4359 2622.9 4.0 scans 59% TIC 0.43% 0.191% 2029 1.8 310 231102 0.555% 4663036 4575177 13489225 1-0 0.827 27.59 -16.6 97 97 88 98 437 53.3 2.958 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7448 2766.0 3.1 scans 92% 399 m/z 0.063% 1.07% 2153 0.8 744 1585325 26170055 25191915 1-1 20: 399 400 73 147 129 57 205 203 401 487 55 103 71 116 145 75 267 117 101 85 1.000 28.19 62.1 89 98 97 100 487 95.9 1.663 0.552 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1034 Nonacosane 29.5266 2853.9 3.2 scans 72% 57 m/z 0.37% 0.176% 2228 1.0 303 263775 4298463 3917401 2-9 20: 57 71 85 55 99 56 365 69 83 97 113 70 127 111 393 84 141 366 155 364 0.995 29.50 2.4 97 96 98 99 408 11.0 0.131 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8507 2890.4 3.2 scans 79% 57 m/z 0.27% 0.251% 2259 1.1 355 369703 6103026 5600395 5-6 20: 57 71 85 55 99 69 83 56 113 97 70 127 84 111 98 141 112 86 140 155 0.998 29.83 2.7 97 94 99 100 408 22.1 0.389 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4409 2960.0 3.5 scans 66% 193 m/z (204) 0.51% 0.283% 2315 1.0 350 195385 6895859 6344126 2-2 16: 193 119 105 163 120 91 176 194 171 247 515 325 121 106 158 185 0.988 30.36 9.9 92 93 91 94 529 15.6 0.199 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4809 2964.7 3.2 scans 59% 57 m/z (193) 0.49% 0.152% 2318 1.0 262 201163 0.190% 3705674 3528322 4617933 1-1 18: 57 71 56 85 393 55 99 83 70 392 97 394 113 127 84 141 58 365 0.980 30.46 2.1 97 98 98 99 393 58.8 5.029 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2322 3053.9 3.2 scans 83% 57 m/z 0.11% 0.672% 2390 0.9 579 903319 16348491 14305716 3-7 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 421 155 394 392 0.996 31.21 2.4 99 98 99 100 393 89.3 2.377 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1048 Hentriacontane 31.5394 3090.4 3.2 scans 86% 57 m/z 0.080% 0.881% 2419 0.8 673 1245509 21430223 21116658 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.999 31.53 0.9 99 98 100 98 436 39.5 0.345 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6983 3109.3 4.1 scans 21% 204 m/z 1.6% 0.0196% 2434 1.0 118 59165 0.128% 476440 423667 3111028 0-3 9: 204 337 205 598 217 597 73 206 361 0.855 31.68 2.7 88 90 82 89 597 14.8 1.569 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8330 3125.3 3.1 scans 75% 502 m/z 0.16% 0.323% 2447 1.0 422 598988 7851088 7767127 0-1 14: 502 237 503 73 236 238 504 277 221 208 239 223 74 505 0.989 31.79 4.9 99 98 97 100 502 203.9 23.359 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9666 3141.2 3.3 scans 85% 329 m/z 0.29% 0.751% 2460 0.8 608 335974 18255067 17646735 1-1 18: 329 129 368 458 353 95 75 107 121 81 119 330 105 145 328 369 55 93 0.998 31.87 11.8 97 95 95 98 458 90.5 2.217 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1234 3159.8 3.6 scans 40% 57 m/z 0.59% 0.100% 2475 1.1 237 169232 0.195% 2436101 2426708 4739457 0-1 18: 57 71 56 85 421 99 83 97 422 420 70 113 127 111 58 393 141 84 0.988 32.11 1.6 97 97 97 97 421 53.9 5.157 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1004 Campesterol 32.7968 3239.8 3.9 scans 50% 343 m/z 0.75% 0.300% 2539 0.9 355 132290 7309691 6622822 5-1 16: 343 129 382 367 472 344 121 107 383 342 119 145 105 120 473 255 0.835 32.21 69.7 84 96 84 97 472 54.7 2.376 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1046 Stigmasterol 33.0020 3264.1 3.5 scans 88% 83 m/z (309) 0.15% 1.53% 2558 0.7 838 647267 37310674 36288966 1-1 20: 83 129 55 255 69 394 484 81 73 75 133 159 119 105 145 351 107 93 95 97 0.998 32.98 2.3 96 97 99 99 665 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1083 3276.8 3.3 scans 63% 57 m/z 0.20% 0.345% 2568 1.0 424 492045 8403065 7967561 0-8 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 72 58 0.971 33.10 1.4 85 85 96 93 515 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN WTF2-N1034 b-Sitosterol 33.4892 3322.0 3.8 scans 65% 357 m/z 0.48% 0.464% 2604 0.9 463 204169 0.540% 11301336 10997071 13124651 2-3 15: 357 129 396 486 381 358 107 119 397 121 105 356 145 159 487 0.992 32.88 72.7 85 98 97 99 486 67.1 2.101 0.612 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6081 3336.1 3.6 scans 32% 386 m/z 2.2% 0.141% 2616 0.9 237 44008 0.169% 3444939 2944233 4107530 4-11 5: 386 296 387 371 379 0.945 33.58 2.8 91 91 90 96 505 6.3 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6024 3454.2 4.4 scans 30% 596 m/z 0.58% 0.111% 2710 1.0 208 171544 2721527 2720370 0-1 17: 596 597 598 331 316 599 302 315 356 318 303 317 300 342 304 357 330 0.975 34.47 15.5 97 96 91 98 596 109.1 27.600 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN EXBLK5S-N1006 Contamination 6.3615 1047.7 2.4 scans 69% 207 m/z 0.67% 0.0450% 26 1.9 173 147807 1268867 1095178 1-5 16: 207 295 208 209 296 191 297 279 71 193 84 210 177 192 189 247 0.958 6.63 -15.6 97 96 90 97 295 55.4 10.188 -0.264 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1192 Contamination 7.9513 1141.9 2.7 scans 94% 147 m/z 0.084% 0.624% 177 0.8 627 1186512 17584905 16014864 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 75 160 149 100 103 131 134 221 0.997 7.99 -2.3 98 97 97 98 235 128.8 4.217 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1188 Contamination 8.3217 1163.9 >3 scans 61% TIC 3.4% 0.0155% 212 0.5 99 29153 0.0788% 436994 407098 2220504 1-0 0.982 8.41 -5.5 92 91 68 95 369 26.5 7.245 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1186 Phosphate 8.4859 1173.6 2.3 scans 90% 241 m/z 0.34% 0.0607% 228 1.3 223 291324 1711735 1604139 1-1 20: 241 242 133 243 211 163 73 256 195 135 98 59 89 119 137 257 164 181 121 212 0.999 8.56 -4.4 100 99 97 99 299 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN VEN77_S6-N1002 Glycerol 10.0263 1264.1 >6 scans 63% 299 m/z 0.011% 4.33% 375 0.9 1164 8362384 5.31% 122228577 117989517 149630390 1-0 20: 299 302 317 167 255 270 143 286 223 182 122 139 157 224 164 252 92 198 200 128 0.999 10.09 -3.9 99 99 96 99 299 748.2 41.526 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6523 1300.7 3.1 scans 65% 199 m/z 1.2% 0.0596% 434 0.8 187 82205 1680726 1586616 6-1 19: 199 75 117 145 132 200 129 131 118 79 74 81 61 76 201 72 116 155 107 0.774 10.73 -4.9 96 94 92 99 209 5.5 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9911 1321.1 2.8 scans 79% 184 m/z 1.5% 0.0351% 466 0.9 150 64543 0.0371% 990977 919087 1045440 2-1 20: 184 134 285 73 174 77 86 100 185 227 286 59 186 135 172 110 130 178 287 118 0.990 11.06 -4.4 98 98 94 98 285 46.1 9.399 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3605 1343.4 3.7 scans 92% TIC 0.45% 0.109% 501 0.8 230 219006 0.156% 3091151 2862533 4395921 1-0 0.999 11.45 -5.1 98 97 96 99 145 65.8 8.171 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN TAB_REP6-N1026 Malic acid 13.4438 1472.0 2.6 scans 92% TIC 0.39% 0.101% 699 1.0 263 251385 2849222 2750819 2-1 0.998 13.53 -5.6 97 96 95 97 335 30.9 1.382 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1146 Malic acid 13.4449 1472.0 2.5 scans 90% 73 m/z 0.41% 0.0968% 699 1.2 260 240294 2728094 2555106 2-1 20: 73 147 233 245 190 133 189 148 75 74 191 55 149 335 175 101 234 59 265 171 0.998 13.62 -10.8 97 96 94 96 350 0.0 0.000 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1044 Dodecanol 14.7075 1554.3 2.8 scans 91% TIC 0.43% 0.0856% 819 0.9 229 228963 0.105% 2412667 2328616 2958793 3-1 0.998 14.24 30.9 97 99 98 99 243 123.8 29.248 0.466 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1743 1654.0 2.9 scans 81% 290 m/z 0.32% 0.103% 959 2.1 227 308508 0.108% 2919533 2533688 3043330 1-4 16: 290 73 291 292 392 158 144 131 117 115 393 293 59 100 172 200 0.949 16.28 -7.1 97 95 93 99 392 32.8 2.084 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5289 1678.6 2.8 scans 93% 55 m/z 0.28% 0.226% 992 1.1 359 356464 0.247% 6394323 5485913 6960208 9-4 20: 55 73 69 83 56 70 97 57 84 111 82 127 113 98 68 71 96 112 67 54 1.000 16.63 -6.8 99 98 98 98 210 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1010 Glycerol-P 17.4695 1746.2 2.8 scans 98% 299 m/z 0.028% 3.06% 1082 0.6 1397 3488598 86461910 86461910 0-0 20: 299 357 73 147 358 315 300 370 445 211 103 359 101 129 301 133 387 256 218 131 1.000 16.97 36.7 96 99 99 99 445 219.9 2.480 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN TAB_REP6-N1048 Citric acid 18.2260 1801.5 2.8 scans 66% 273 m/z 1.4% 0.0439% 1154 1.1 168 70752 1237642 1227950 3-0 15: 273 363 274 375 347 465 364 211 221 348 183 466 376 349 257 0.973 18.24 -1.3 97 96 92 99 465 24.8 2.184 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4165 1816.0 4.0 scans 94% TIC 0.028% 3.98% 1172 0.5 1344 3534072 112373240 106548054 1-2 0.981 17.91 37.8 96 99 98 99 327 128.0 0.908 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1012 Phytol 18.5522 1826.3 3.0 scans 95% 68 m/z 0.064% 1.91% 1185 0.5 1057 1548480 2.18% 54027073 49779146 61430179 4-1 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 70 85 1.000 18.04 38.2 94 98 99 99 278 63.3 0.358 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1016 Hexadecene 18.6112 1830.8 2.6 scans 91% 70 m/z 0.25% 0.251% 1190 1.1 411 391520 1.72% 7080326 6893055 48467848 0-1 20: 70 69 57 55 71 83 111 56 125 97 126 280 84 85 140 67 112 98 82 68 0.997 18.10 38.4 83 82 92 97 280 61.9 2.269 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6364 1832.8 2.8 scans 47% 285 m/z 2.1% 0.0273% 1193 0.9 134 46390 770956 732683 1-1 13: 285 117 132 129 286 145 118 287 116 300 201 61 130 0.996 18.73 -6.9 95 95 82 94 300 13.7 1.041 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1076 Pregnane?? 18.7553 1841.8 2.6 scans 68% 345 m/z 1.5% 0.0342% 1204 1.1 160 66328 964513 962987 0-1 12: 345 255 346 147 347 256 334 148 435 419 239 257 0.899 18.86 -7.9 85 84 71 85 537 7.2 0.202 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1002 Phytol 18.8min 18.8405 1848.3 2.7 scans 93% 81 m/z 0.36% 0.327% 1212 1.1 461 270515 9238227 8380369 1-12 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 124 97 109 53 278 56 111 0.991 18.84 0.0 94 93 98 95 278 53.4 1.343 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8458 1848.7 3.1 scans 100% 264 m/z 0.42% 0.337% 1213 1.6 438 233832 0.487% 9504638 9254519 13723164 0-1 9: 264 279 265 266 192 206 237 222 270 0.998 18.87 -1.9 95 93 96 97 278 50.5 1.331 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1074 Adenine 18.8458 1848.7 3.1 scans 9.1% 264 m/z (81) 1.1% 0.0309% 1213 1.6 126 88492 0.0446% 871557 848622 1256783 0-1 9: 264 279 265 266 192 206 237 222 270 0.824 18.94 -7.2 86 88 61 96 415 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1072 Fructose 18.9279 1855.0 2.8 scans 87% TIC 0.35% 0.149% 1220 1.3 301 280010 0.481% 4208374 3930395 13554090 1-1 0.995 19.03 -8.0 95 94 95 94 364 28.6 0.903 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1070 Fructose 19.0478 1864.1 2.8 scans 69% 73 m/z 0.54% 0.0950% 1232 1.3 243 184081 0.160% 2679003 2427121 4508637 1-5 20: 73 103 307 217 147 308 218 277 309 205 364 89 104 74 262 133 189 219 117 148 0.994 19.19 -11.2 90 89 90 89 554 11.9 0.240 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0867 1867.1 2.9 scans 96% TIC 0.19% 0.734% 1236 0.6 624 517970 0.742% 20694612 19666694 20908804 1-2 0.998 18.58 38.7 93 95 98 99 278 84.7 1.846 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN BRA4_R~2-N1004 Galactose 19.2488 1879.5 2.9 scans 80% TIC 0.53% 0.0943% 1251 1.1 255 188491 0.762% 2658315 2581589 21472384 3-0 0.971 19.36 -8.6 96 94 93 97 364 16.3 0.407 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1068 Galactopyranose 19.3266 1885.4 2.8 scans 59% 204 m/z 1.5% 0.0313% 1258 1.3 139 64190 883740 808910 1-2 8: 204 191 192 206 193 305 231 228 0.932 19.32 0.9 83 81 82 86 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9054 1931.1 2.7 scans 80% 204 m/z 0.23% 0.145% 1313 1.3 305 426062 4105499 3882975 2-2 18: 204 217 159 205 147 206 129 218 103 189 133 191 219 160 148 305 203 291 0.985 19.91 -0.6 96 94 94 98 361 14.4 0.224 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7861 2002.0 3.0 scans 94% TIC 0.12% 1.12% 1397 0.7 825 797054 1.24% 31806454 29314004 34941937 1-6 0.999 20.27 41.8 82 81 94 97 322 58.1 0.496 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1038 C16:0 21.1491 2032.5 3.6 scans 97% 313 m/z 0.026% 3.64% 1432 0.3 1335 3744372 102823593 99399820 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 315 57 69 269 74 285 1.000 20.62 44.2 94 99 99 100 328 154.5 1.341 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6499 2074.6 2.8 scans 31% 305 m/z 3.5% 0.0197% 1479 1.0 109 27930 0.0508% 556304 460459 1431492 6-3 18: 305 217 318 191 306 265 319 218 307 367 320 432 192 266 219 433 221 293 0.985 21.75 -8.3 89 89 73 90 507 6.1 0.318 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9519 2100.0 3.5 scans 72% TIC 1.2% 0.0916% 1508 0.8 215 81335 0.196% 2581481 2436280 5523080 0-1 0.945 22.33 -33.0 94 96 92 98 342 26.1 1.470 -0.378 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1040 Phytol 22.6169 2158.1 3.4 scans 96% 143 m/z 0.022% 1.46% 1571 0.8 889 4350219 41148357 40312447 1-1 20: 143 73 75 144 123 81 57 55 145 69 124 95 71 103 97 83 82 67 74 96 0.999 22.08 46.6 80 81 90 97 181 14.1 0.025 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1872 2208.2 5.9 scans 100% 199 m/z 0.034% 9.69% 1625 0.5 1692 2926211 16.1% 273231051 247379747 453681596 0-4 19: 199 84 98 70 156 211 200 152 181 223 166 112 269 214 182 255 209 221 168 1.000 23.12 6.4 98 96 99 97 350 119.5 0.499 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1036 C18:0 23.4029 2228.0 2.7 scans 90% TIC 0.098% 0.868% 1646 1.0 720 1016070 24473060 20621011 3-4 0.997 22.89 46.2 93 98 96 99 356 93.6 1.693 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7080 2255.8 2.8 scans 28% 163 m/z (337) 0.62% 0.0476% 1675 1.1 168 160988 0.0515% 1342737 1223909 1451218 2-12 7: 163 331 164 165 88 332 90 0.820 23.72 -1.1 89 92 83 94 331 39.5 5.524 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1004 Prostaglandin 23.7501 2259.7 8.5 scans 55% TIC 0.84% 0.0494% 1679 1.0 237 118694 0.401% 1394212 1394212 11299771 0-0 0.974 23.76 -0.7 93 92 83 92 360 20.0 0.712 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1383 2295.2 3.1 scans 34% 204 m/z (333) 0.59% 0.0623% 1716 0.7 178 168921 0.0740% 1755638 1567992 2085245 0-11 18: 204 217 205 337 147 103 206 218 219 338 361 191 339 203 189 101 243 291 0.960 24.01 11.7 89 91 84 92 490 0.0 0.000 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1383 2295.2 3.1 scans 32% 204 m/z 0.59% 0.0525% 1716 0.7 171 167483 0.0623% 1479794 1321630 1755551 0-11 18: 204 217 205 337 147 103 206 218 219 338 361 191 339 203 189 101 243 291 0.724 24.18 -3.9 89 90 70 91 581 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2657 2307.1 >4 scans 43% TIC 0.77% 0.0256% 1728 1.7 131 129678 0.153% 722134 440059 4311384 0-2 0.950 24.23 3.3 87 86 82 88 362 9.8 0.566 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1018 myo-Inositol 25.2053 2396.4 3.9 scans 66% TIC 0.70% 0.141% 1817 1.2 269 141031 0.315% 3983361 3983361 8876379 0-0 0.934 25.21 -0.4 97 96 94 99 470 17.9 0.442 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6167 2437.0 3.3 scans 46% 91 m/z 0.65% 0.0465% 1856 1.3 158 153261 0.0618% 1312068 1244173 1741461 4-2 15: 91 117 194 207 92 115 208 65 193 312 104 118 51 102 178 0.964 25.61 0.7 97 97 94 97 312 18.3 1.339 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2964 2504.5 2.8 scans 63% 204 m/z 0.46% 0.0730% 1921 1.0 227 214169 2059498 1954267 4-0 14: 204 73 217 147 205 219 206 218 133 305 191 220 101 148 0.979 25.86 43.8 86 89 91 99 361 11.7 0.265 0.440 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5510 2530.8 3.1 scans 70% TIC 0.36% 0.193% 1945 1.8 338 271072 0.504% 5465918 5381240 14202206 1-2 0.936 26.57 -2.3 99 98 91 99 512 108.4 10.295 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9225 2569.2 3.0 scans 92% TIC 0.050% 0.992% 1980 0.8 796 1970902 27976283 27310762 1-3 1.000 26.39 54.6 90 97 97 99 459 102.9 1.675 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1018 Sucrose 27.4117 2620.4 2.8 scans 15% 361 m/z (397) 2.0% 0.0197% 2027 0.9 110 49506 557104 516594 1-7 10: 361 362 437 363 438 451 439 272 364 452 0.783 27.47 -6.1 92 95 76 94 437 23.8 4.688 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN LQC1-N1014 Sucrose 27.4117 2620.4 2.8 scans 15% 361 m/z 2.0% 0.0186% 2027 0.9 110 49497 525607 487387 1-7 10: 361 362 437 363 438 451 439 272 364 452 0.926 27.49 -8.3 93 94 75 94 437 23.8 4.694 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7196 2763.2 2.7 scans 89% 399 m/z 0.077% 0.621% 2151 0.9 657 1292523 17512194 16581089 1-1 20: 399 400 73 147 57 129 205 203 103 401 487 55 71 116 145 75 117 267 101 85 0.999 28.19 59.3 89 98 97 100 487 84.8 1.666 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1034 Nonacosane 29.5045 2851.5 2.9 scans 72% 57 m/z 0.30% 0.168% 2226 1.0 332 323822 4760514 4479066 3-1 20: 57 71 85 55 99 56 69 365 83 97 113 70 127 111 141 393 84 366 364 155 0.995 29.50 -0.0 95 93 98 99 408 11.8 0.127 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8276 2887.8 2.9 scans 80% 57 m/z 0.20% 0.253% 2256 1.0 401 482746 7148244 6781754 1-8 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 141 111 98 112 72 86 58 0.995 29.83 0.1 96 94 99 99 408 26.0 0.421 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4147 2956.9 3.0 scans 51% 193 m/z (204) 0.85% 0.126% 2312 1.1 269 116786 3561348 3286820 2-2 16: 193 119 105 163 120 194 176 91 171 247 515 325 106 185 158 248 0.982 30.36 6.8 87 89 89 90 529 11.0 0.168 0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4578 2962.0 3.0 scans 60% 57 m/z 0.41% 0.123% 2316 0.9 277 241321 0.151% 3477722 3220949 4255026 2-1 18: 57 71 85 56 393 55 99 83 394 392 70 97 113 127 141 84 58 86 0.991 30.46 -0.6 99 98 98 98 393 66.9 5.822 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2133 3051.7 3.0 scans 84% 57 m/z 0.092% 0.624% 2388 0.8 628 1079785 17603326 16660489 2-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 155 98 394 0.996 31.21 0.2 99 97 99 100 393 98.4 2.456 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1048 Hentriacontane 31.5195 3088.1 3.0 scans 86% 57 m/z 0.074% 0.769% 2417 0.8 690 1340874 21692474 21126556 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 125 0.999 31.53 -1.4 100 99 100 100 436 41.7 0.365 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6773 3106.8 3.4 scans 21% 204 m/z 1.1% 0.0205% 2432 1.0 134 84938 0.0275% 579076 516338 774922 0-2 17: 204 205 73 597 337 217 103 191 361 598 206 338 129 599 147 243 339 0.917 31.68 0.2 91 92 84 91 597 18.6 1.913 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8099 3122.6 3.0 scans 46% 502 m/z 0.43% 0.103% 2445 1.0 249 229371 2912856 2813792 1-1 13: 502 237 503 236 504 238 277 221 505 223 239 315 224 0.950 31.79 2.2 96 95 89 99 502 123.9 24.702 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9509 3139.3 3.1 scans 86% 329 m/z 0.16% 1.09% 2458 0.6 803 590051 30774391 27969278 1-1 20: 329 129 368 73 458 353 95 75 119 330 107 121 145 81 105 369 328 57 93 55 1.000 31.87 9.9 97 95 95 99 458 121.3 2.281 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1045 3157.5 3.1 scans 41% 57 m/z 0.47% 0.0983% 2473 1.0 263 209356 0.216% 2769999 2678095 6086660 2-1 18: 57 71 56 85 421 55 99 83 70 422 420 97 113 127 84 141 393 58 0.980 32.11 -0.7 97 98 98 98 421 61.0 5.366 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1004 Campesterol 32.7779 3237.5 3.7 scans 55% 343 m/z 0.50% 0.359% 2537 0.9 432 199159 0.378% 10140261 9885191 10651655 0-1 15: 343 129 382 472 367 344 119 107 383 121 342 145 105 159 93 0.889 32.21 67.4 84 96 84 97 472 67.7 2.455 0.568 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1046 Stigmasterol 32.9894 3262.6 3.6 scans 88% TIC 0.10% 1.93% 2557 0.5 1026 982301 54556450 53149234 1-0 0.996 32.98 0.8 97 96 98 98 665 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN WTF2-N1034 b-Sitosterol 33.4703 3319.7 3.5 scans 67% 357 m/z 0.34% 0.570% 2603 0.7 554 293785 0.688% 16081017 14958749 19387139 1-5 14: 357 129 396 486 381 358 397 119 121 107 145 105 356 159 0.994 32.88 70.4 85 97 98 99 486 81.5 2.165 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5860 3333.5 3.5 scans 51% 386 m/z 0.93% 0.245% 2614 1.0 364 106728 6922527 6738096 3-1 8: 386 296 387 281 119 257 371 159 0.983 33.58 0.2 94 92 94 98 505 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8827 3368.7 3.3 scans 5.4% 441 m/z 2.8% 0.0110% 2642 1.0 76 34867 310616 310616 1-0 5: 441 442 646 308 443 0.892 33.80 10.3 90 90 73 94 646 14.2 3.450 0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5730 3450.7 4.0 scans 28% 596 m/z 0.48% 0.109% 2707 1.0 224 204675 3098455 2871706 1-9 16: 596 597 598 331 599 302 356 318 317 300 330 600 288 343 304 454 0.960 34.47 12.0 97 96 90 99 596 117.0 27.303 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN EXBLK5S-N1006 Contamination 6.3603 1047.6 1.8 scans 78% 207 m/z 0.49% 0.0382% 26 1.2 197 207189 0.0398% 1230363 1139299 1279973 1-2 16: 207 73 295 208 209 296 191 279 297 193 189 210 192 247 177 263 0.989 6.63 -15.7 98 97 89 97 295 62.4 10.060 -0.265 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1192 Contamination 7.9628 1142.6 2.7 scans 93% 147 m/z 0.094% 0.512% 178 0.8 573 1075102 16473486 14554724 3-2 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 75 100 103 149 131 134 236 1.000 7.99 -1.6 97 96 97 97 235 118.6 4.279 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1188 Contamination 8.2995 1162.6 2.6 scans 61% 281 m/z 3.9% 0.0105% 210 2.0 81 25693 339676 322447 1-2 8: 281 369 282 370 283 265 371 207 0.959 8.41 -6.8 94 93 73 96 369 24.3 9.118 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1186 Phosphate 8.4963 1174.2 2.2 scans 95% 241 m/z 0.12% 0.143% 229 1.2 354 784962 4609202 4328821 1-1 19: 241 242 133 211 163 73 256 243 195 135 98 59 89 119 137 212 134 257 181 1.000 8.56 -3.8 100 99 99 100 299 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1180 Benzoic acid 9.6632 1242.8 3.3 scans 26% 179 m/z (73) 7.7% 0.00516% 340 0.6 51 13104 0.00601% 166059 156897 193282 1-0 5: 179 105 135 180 194 0.952 9.76 -5.7 90 93 86 95 194 10.5 4.231 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN VEN77_S6-N1002 Glycerol 10.0399 1264.9 6.0 scans 96% 299 m/z 0.012% 5.26% 376 0.3 1323 8410653 169300392 165673188 1-1 20: 299 300 73 314 301 133 147 283 207 315 205 211 193 191 316 135 302 103 74 117 1.000 10.09 -3.1 98 96 92 99 299 719.5 29.738 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6596 1301.2 3.2 scans 61% 199 m/z 1.3% 0.0585% 435 0.8 184 78005 0.0666% 1884234 1760221 2141864 8-7 18: 199 75 117 73 145 200 132 129 131 67 81 118 74 72 61 76 201 155 0.779 10.73 -4.4 94 91 92 99 209 2.8 0.000 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9984 1321.6 2.9 scans 56% TIC 4.8% 0.00621% 467 1.4 78 21186 0.0576% 199886 199886 1852423 0-0 0.967 11.06 -3.9 93 93 86 93 285 24.0 9.447 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3667 1343.7 4.0 scans 92% TIC 0.46% 0.0980% 502 0.7 218 216994 0.133% 3154734 2979432 4277296 1-0 0.993 11.45 -4.8 98 96 96 99 145 62.9 8.316 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN TAB_REP6-N1026 Malic acid 13.4511 1472.4 2.4 scans 92% 73 m/z (231) 0.21% 0.151% 700 1.0 343 463672 4857283 4721326 1-1 20: 73 147 233 245 133 189 148 190 75 74 191 175 335 101 149 55 234 59 217 177 0.997 13.53 -5.2 97 98 96 98 335 41.2 1.443 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1146 Malic acid 13.4511 1472.4 2.4 scans 95% 73 m/z 0.21% 0.151% 700 1.0 348 470457 4881769 4745126 1-1 20: 73 147 233 245 133 189 148 190 75 74 191 175 335 101 149 55 234 59 217 177 1.000 13.62 -10.4 99 98 97 98 350 6.9 0.039 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1044 Dodecanol 14.7137 1554.7 2.6 scans 90% 243 m/z 0.37% 0.0741% 820 1.0 235 273163 2383323 2232941 4-1 19: 243 75 244 73 103 89 83 97 69 55 245 61 101 111 76 115 59 91 74 0.999 14.24 31.3 97 98 98 99 243 129.7 30.497 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1784 1654.3 2.9 scans 84% 290 m/z 0.30% 0.0860% 959 2.0 222 330565 0.0976% 2768508 2677254 3138828 1-0 17: 290 73 291 292 158 392 144 131 117 74 115 393 172 293 130 100 394 0.954 16.28 -6.8 97 95 93 99 392 31.9 2.062 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5340 1679.0 2.8 scans 93% 55 m/z 0.25% 0.203% 993 1.1 365 400535 0.218% 6543125 5663523 7010907 9-4 20: 55 69 83 73 97 70 56 57 84 111 82 127 113 98 68 71 96 67 140 54 0.999 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1010 Glycerol-P 17.4684 1746.1 2.6 scans 96% 357 m/z 0.036% 1.98% 1082 0.6 1183 2817532 63990068 59931440 1-1 20: 357 299 73 358 147 315 300 370 445 211 359 101 103 301 133 256 129 387 218 328 1.000 16.97 36.6 96 99 98 99 445 191.2 2.616 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN TAB_REP6-N1048 Citric acid 18.2291 1801.7 2.6 scans 69% 273 m/z 1.4% 0.0367% 1154 1.0 165 71071 1181516 1141008 1-1 15: 273 363 375 347 274 465 275 364 211 348 376 466 257 349 221 0.972 18.24 -1.1 96 95 91 99 465 23.8 2.086 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4206 1816.3 4.2 scans 96% 73 m/z 0.028% 3.66% 1172 0.5 1283 3632359 118016372 115924139 1-0 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 133 90 77 121 117 137 150 0.993 17.91 38.1 96 99 98 99 327 123.3 0.924 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1012 Phytol 18.5532 1826.4 2.9 scans 97% 68 m/z 0.072% 1.45% 1185 0.6 966 1413434 1.74% 46684815 46088981 55958612 2-0 20: 68 95 82 57 55 69 123 81 67 83 97 71 96 109 124 111 79 56 70 53 1.000 18.04 38.3 94 98 99 99 278 57.6 0.355 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1016 Hexadecene 18.6163 1831.2 2.6 scans 90% 70 m/z 0.27% 0.202% 1191 1.0 384 372691 1.29% 6517659 6197970 41486557 0-1 20: 70 69 55 71 57 83 111 56 125 97 126 280 84 85 140 67 112 82 68 98 0.995 18.10 38.8 85 85 92 97 280 58.8 2.346 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6395 1833.0 2.7 scans 43% 285 m/z 1.7% 0.0290% 1193 1.0 145 59963 935518 894456 1-1 15: 285 117 132 129 286 145 118 287 300 130 116 201 61 241 257 0.987 18.73 -6.7 94 94 82 94 300 14.8 1.031 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1076 Pregnane?? 18.7573 1842.0 2.7 scans 71% 345 m/z 1.4% 0.0339% 1204 1.2 153 68199 1092082 1092082 0-0 16: 345 255 346 147 347 334 256 133 435 148 419 257 80 108 372 239 0.894 18.86 -7.7 87 87 74 87 537 5.2 0.117 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1002 Phytol 18.8min 18.8447 1848.6 2.8 scans 91% 81 m/z 0.48% 0.228% 1213 1.1 378 209194 0.232% 7355192 6781482 7461148 1-8 20: 81 82 68 95 123 57 69 55 67 83 79 71 96 124 97 109 278 53 110 111 0.981 18.84 0.3 98 98 98 98 278 45.7 1.460 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1072 Fructose 18.9330 1855.4 2.7 scans 81% 73 m/z 0.62% 0.0650% 1221 0.9 221 162270 0.0843% 2091674 2062012 2711098 1-1 20: 73 103 307 217 147 308 277 218 133 309 104 205 189 74 117 364 89 148 219 191 0.993 19.03 -7.6 94 93 93 93 364 21.3 0.934 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0898 1867.3 2.8 scans 95% 81 m/z 0.21% 0.476% 1236 0.8 570 478474 15310317 14868153 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 38.9 93 95 98 99 278 79.0 1.917 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN BRA4_R~2-N1004 Galactose 19.2529 1879.8 3.0 scans 66% 73 m/z 1.2% 0.0367% 1251 0.9 156 78641 0.114% 1182709 1182709 3666254 0-0 20: 73 160 320 147 217 206 103 74 117 161 148 189 133 218 291 231 307 322 129 149 0.988 19.36 -8.3 94 93 90 94 364 9.0 0.331 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1066 Glucose 19.2561 1880.0 2.7 scans 56% 319 m/z (73) 1.8% 0.0301% 1252 0.9 141 55240 0.0507% 970938 970938 1630518 0-0 15: 319 205 160 320 147 321 206 229 157 207 89 231 364 277 233 0.973 19.40 -10.9 82 82 55 87 319 58.3 17.064 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1068 Galactopyranose 19.3308 1885.7 2.8 scans 53% 204 m/z 1.8% 0.0229% 1259 1.1 123 55022 0.0282% 738483 672331 906915 1-8 8: 204 191 206 192 189 148 219 305 0.923 19.32 1.2 84 82 82 87 435 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9095 1931.5 2.9 scans 88% 204 m/z (210) 0.27% 0.134% 1314 1.1 289 374978 4333054 4079527 2-2 18: 204 217 159 205 147 206 129 218 103 191 189 133 160 305 219 148 203 291 0.998 19.91 -0.2 93 92 94 99 361 13.6 0.222 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2693 1960.4 2.7 scans 29% 204 m/z 2.8% 0.00731% 1348 1.2 74 35838 235381 235381 0-0 7: 204 191 205 206 192 218 189 0.847 20.41 -11.6 82 84 66 83 217 20.9 7.904 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7891 2002.3 3.0 scans 95% 75 m/z 0.15% 0.837% 1397 0.7 721 656081 0.909% 26921129 26385144 29233551 1-1 20: 75 73 79 93 67 95 108 91 129 80 55 81 94 117 307 121 77 107 135 145 0.998 20.27 42.1 83 83 94 99 322 51.0 0.502 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1038 C16:0 21.1511 2032.7 3.3 scans 97% 313 m/z 0.027% 2.94% 1432 0.4 1291 3737201 94688809 90177557 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 201 74 116 315 269 1.000 20.62 44.4 94 99 99 100 328 149.0 1.333 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6530 2074.9 2.9 scans 41% 305 m/z 3.5% 0.0179% 1480 1.1 106 28549 576314 538941 3-3 17: 305 217 318 191 306 319 265 307 432 433 367 291 192 219 393 221 434 0.984 21.75 -8.0 90 91 75 91 507 7.9 0.559 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9539 2100.2 3.0 scans 64% 327 m/z 1.2% 0.0537% 1508 1.2 187 79693 1728247 1601853 2-2 12: 327 117 132 129 328 145 342 201 329 118 299 146 0.970 22.33 -32.8 95 97 93 98 342 25.0 1.782 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1040 Phytol 22.6168 2158.1 3.4 scans 94% 143 m/z 0.034% 0.848% 1571 0.9 697 2975919 27301663 26351642 2-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 97 83 82 67 74 96 0.998 22.08 46.6 80 82 89 97 181 11.5 0.027 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1860 2208.1 6.4 scans 93% 79 m/z 0.037% 7.85% 1625 0.2 1531 2700078 9.18% 252708665 247711370 295229918 0-2 20: 79 75 73 95 93 108 67 80 81 91 107 129 55 94 121 117 135 77 122 105 0.994 23.12 6.3 96 96 98 96 350 112.7 0.542 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1036 C18:0 23.4070 2228.3 2.8 scans 90% 341 m/z 0.085% 0.812% 1646 0.8 745 1192961 26121666 24766949 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 116 297 0.998 22.89 46.5 93 98 98 99 356 98.0 1.731 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7121 2256.2 2.9 scans 32% 163 m/z 0.60% 0.0413% 1675 1.0 166 169348 0.0490% 1330734 1250000 1575846 2-11 9: 163 331 164 165 88 332 90 60 166 0.848 23.72 -0.7 94 95 82 95 331 40.1 5.872 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1006 Androsterone 23.8973 2273.2 3.0 scans 74% 143 m/z 0.28% 0.163% 1693 1.1 343 362120 0.338% 5257129 5255893 10870121 1-0 16: 143 73 187 144 135 255 145 188 107 105 270 157 121 159 119 156 0.989 23.89 0.8 85 78 79 99 345 19.5 0.322 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1010 Epitestosterone 23.9636 2279.2 3.2 scans 61% TIC 0.79% 0.0570% 1699 0.9 217 128877 0.197% 1835121 1768300 6335544 0-1 0.974 23.96 0.3 89 88 90 91 360 14.5 0.450 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1425 2295.6 3.2 scans 36% 204 m/z (333) 0.68% 0.0422% 1716 0.9 157 148215 0.0682% 1359248 1320051 2193320 1-2 15: 204 205 217 337 147 103 206 338 219 218 191 361 339 203 291 0.967 24.01 12.1 89 91 83 92 490 0.0 0.000 0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1425 2295.6 3.2 scans 45% 204 m/z (143) 0.70% 0.0523% 1716 0.9 174 145056 0.0844% 1682022 1633516 2714314 1-2 15: 204 205 217 337 147 103 206 338 219 218 191 361 339 203 291 0.871 24.18 -3.5 89 91 88 92 581 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2361 2304.3 3.2 scans 85% 143 m/z 0.062% 0.350% 1725 1.1 481 1623325 0.703% 11256985 11256985 22608566 0-0 19: 143 73 144 75 156 145 81 69 155 272 109 74 93 362 219 115 130 170 157 0.986 24.23 0.5 99 98 98 100 362 34.0 0.499 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1014 Androsterone 24.3min 24.2771 2308.2 >3 scans 85% 143 m/z 0.076% 0.294% 1729 1.1 437 1332746 0.705% 9480414 8929832 22672886 0-2 20: 143 73 144 75 156 81 145 69 95 109 155 272 115 55 74 219 170 279 93 169 0.999 24.27 0.3 100 99 99 99 362 27.6 0.398 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1016 Androsterone 24.5min 24.5255 2331.8 3.2 scans 20% 143 m/z (117) 1.6% 0.0162% 1752 1.0 92 62383 0.0189% 523657 477580 607826 0-1 8: 143 300 144 180 284 301 179 362 0.894 24.52 0.8 80 83 67 88 362 5.7 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1018 myo-Inositol 25.2115 2397.0 4.3 scans 61% TIC 1.0% 0.0903% 1818 1.2 221 101510 0.197% 2905128 2863847 6335544 0-1 0.938 25.21 0.2 97 96 93 98 470 14.9 0.454 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6250 2437.8 3.2 scans 24% 91 m/z 0.64% 0.0471% 1857 1.4 154 158044 1517247 1218287 12-5 12: 91 194 207 92 208 115 193 65 51 63 178 297 0.951 25.61 1.5 95 97 94 96 312 19.3 1.578 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1024 Steroid 26.19min 2494 26.2006 2494.8 3.0 scans 14% 143 m/z 0.95% 0.0410% 1912 1.1 152 106228 0.0541% 1318952 1081185 1739863 9-12 5: 143 192 177 144 178 0.926 26.19 0.7 86 88 83 91 347 3.4 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3005 2504.9 3.1 scans 22% 204 m/z 0.52% 0.0786% 1921 1.1 205 192519 0.250% 2530339 1528220 8040030 19-0 5: 204 205 206 305 293 0.887 25.86 44.2 83 88 91 98 361 23.3 0.000 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5551 2531.2 2.7 scans 44% 512 m/z 0.43% 0.145% 1945 1.0 312 235166 4673880 4569172 1-0 16: 512 455 247 513 456 514 207 483 248 263 457 349 484 423 497 249 0.969 26.57 -1.9 98 97 90 98 512 105.8 11.527 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9308 2570.0 2.8 scans 86% 371 m/z 0.038% 1.13% 1981 0.7 894 2660933 36444891 35270014 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 71 103 116 101 75 85 145 117 1.000 26.39 55.4 90 97 97 100 459 112.7 1.593 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1014 Sucrose 27.4137 2620.6 2.9 scans 41% 361 m/z (397) 0.45% 0.130% 2027 0.8 266 225913 0.268% 4183782 3512472 8618913 1-7 11: 361 362 437 363 271 438 451 439 364 452 272 0.959 27.49 -8.1 96 98 90 98 437 49.5 3.465 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1008 Sucrose 27.4137 2620.6 2.9 scans 39% 361 m/z 0.45% 0.113% 2027 0.8 259 225925 0.233% 3641648 3057327 7493308 1-7 11: 361 362 437 363 271 438 451 439 364 452 272 0.934 27.59 -18.9 97 96 87 97 437 49.5 3.660 -0.177 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN LQC1-N1010 Sucrose 27.4169 2620.9 5.1 scans 29% TIC 0.68% 0.0461% 2027 1.4 222 149851 0.454% 1483956 1412442 14600695 2-0 0.639 27.58 -17.3 89 97 70 97 437 44.2 3.974 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7279 2764.1 2.7 scans 91% 399 m/z 0.057% 0.758% 2152 0.8 736 1773884 24382320 23692441 1-1 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 117 75 85 267 101 1.000 28.19 60.2 89 97 97 100 487 95.9 1.699 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1034 Nonacosane 29.5087 2851.9 2.9 scans 69% 57 m/z 0.32% 0.132% 2226 1.1 310 310734 4260255 4065171 3-9 19: 57 71 85 55 99 56 365 69 83 97 113 70 127 141 393 366 84 155 58 0.994 29.50 0.4 95 93 98 99 408 10.8 0.121 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8338 2888.5 2.8 scans 76% 57 m/z 0.23% 0.185% 2257 1.0 367 440314 5967727 5586929 5-7 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 141 111 98 112 155 72 58 0.993 29.83 0.8 96 94 99 99 408 23.1 0.396 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1038 Hexacosanol 30.1758 2928.5 3.1 scans 1.9% 439 m/z 14% 0.00128% 2289 1.0 28 6964 0.00280% 41155 41155 90048 0-0 2: 439 440 0.495 30.17 0.4 81 94 43 93 439 20.7 56.438 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4230 2957.8 3.0 scans 58% 193 m/z (204) 0.62% 0.143% 2313 1.0 302 163475 4601857 4472037 1-2 13: 193 119 105 163 120 91 176 194 171 247 515 325 106 0.983 30.36 7.7 90 92 90 93 529 13.5 0.201 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4630 2962.6 2.9 scans 53% 57 m/z 0.47% 0.0908% 2317 0.8 247 213686 0.114% 2921183 2627019 3666254 0-2 15: 57 71 85 393 56 99 392 394 70 113 127 58 141 84 365 0.991 30.46 -0.0 97 97 97 97 393 59.9 5.869 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2164 3052.1 3.1 scans 82% 57 m/z 0.10% 0.493% 2388 0.7 554 927602 0.507% 15878305 15158576 16305182 3-2 20: 57 71 85 55 99 69 56 393 83 97 113 70 127 111 141 84 421 155 394 392 0.993 31.21 0.6 99 98 99 100 393 85.8 2.405 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1048 Hentriacontane 31.5236 3088.6 3.1 scans 81% 57 m/z 0.082% 0.640% 2418 0.8 631 1232068 20607323 20476374 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 126 0.999 31.53 -0.9 99 98 100 98 436 37.7 0.357 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6793 3107.0 7.2 scans 19% 204 m/z 1.3% 0.0158% 2432 1.3 125 74649 0.110% 510921 510921 3537613 0-0 14: 204 597 205 337 217 73 598 103 206 361 129 338 599 191 0.849 31.68 0.4 89 91 81 90 597 16.3 1.698 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8140 3123.0 2.9 scans 66% 502 m/z 0.18% 0.208% 2445 1.0 379 565411 6689621 6582938 1-0 14: 502 237 503 73 236 504 238 277 221 505 239 208 223 275 0.979 31.79 2.6 99 98 96 100 502 186.6 24.184 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9498 3139.2 3.0 scans 81% 329 m/z 0.27% 0.561% 2458 0.9 611 376447 18041841 17053282 1-1 18: 329 129 368 458 353 95 75 330 107 119 145 105 121 81 328 369 93 91 0.998 31.87 9.8 97 95 95 99 458 92.9 2.310 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1076 3157.9 3.1 scans 28% 57 m/z 0.55% 0.0743% 2473 1.2 237 184004 0.143% 2390017 2336134 4598897 2-1 15: 57 71 56 85 421 99 422 70 420 113 127 141 84 393 58 0.967 32.11 -0.3 96 97 97 98 421 54.9 5.363 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1004 Campesterol 32.7799 3237.8 3.6 scans 43% 343 m/z 0.77% 0.198% 2537 0.9 335 131332 6379964 5843270 1-3 16: 343 382 129 472 367 383 342 344 119 121 145 107 105 255 473 159 0.905 32.21 67.7 83 95 83 97 472 53.1 2.517 0.570 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1046 Stigmasterol 32.9862 3262.3 3.2 scans 83% 83 m/z (309) 0.16% 1.07% 2557 0.6 777 621360 34509459 33643828 1-0 19: 83 129 255 55 394 484 69 81 133 159 75 145 105 119 107 351 93 355 95 0.998 32.98 0.5 96 96 98 99 665 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN WTF2-N1034 b-Sitosterol 33.4712 3319.9 3.4 scans 57% 357 m/z 0.51% 0.325% 2603 0.8 436 199826 10473849 10022580 1-3 11: 357 396 486 381 358 397 107 119 356 145 159 0.986 32.88 70.6 85 97 97 99 486 64.4 2.180 0.594 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5880 3333.7 3.6 scans 27% 386 m/z 2.2% 0.104% 2614 1.1 226 44923 0.116% 3359238 3047761 3730574 4-11 4: 386 296 387 388 0.937 33.58 0.4 89 90 89 95 505 6.6 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8879 3369.3 3.2 scans 8.6% 441 m/z 1.5% 0.0165% 2642 1.0 98 63756 533511 533511 0-1 6: 441 442 308 646 443 647 0.911 33.80 10.9 90 90 74 94 646 17.1 3.054 0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N44_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5802 3451.6 3.4 scans 16% 596 m/z 0.49% 0.0956% 2708 1.0 224 204934 3077051 2729027 1-2 12: 596 597 598 316 302 599 356 315 303 300 330 600 0.877 34.47 12.9 96 95 86 99 596 112.3 25.057 0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 4.8 scans 26% 207 m/z 5.1% 0.00833% 27 1.6 61 19406 242667 226338 1-4 5: 207 295 208 209 296 0.724 6.63 -15.0 86 88 49 89 295 21.0 11.735 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN LQC1-N1192 Contamination 7.9641 1142.7 2.7 scans 98% 73 m/z 0.084% 0.575% 178 0.8 663 1188399 16763799 16558818 3-0 20: 73 147 133 220 235 59 148 146 72 74 86 75 89 103 160 149 100 131 134 236 1.000 7.99 -1.5 99 98 98 99 235 129.8 3.842 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1026 Cadaverine NC 8.1387 1153.0 4.0 scans 74% 174 m/z 2.0% 0.0190% 195 1.2 104 49310 554041 499880 0-5 13: 174 73 175 216 142 86 176 59 160 100 217 74 143 1.000 7.74 23.8 92 91 83 95 216 24.8 5.712 0.403 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN LQC1-N1186 Phosphate 8.5059 1174.8 2.2 scans 99% 241 m/z 0.020% 1.14% 230 0.8 1053 4969755 33457629 33410612 1-0 20: 241 242 133 73 163 211 256 243 135 195 98 59 89 147 119 75 121 137 134 181 1.000 8.56 -3.2 100 99 99 100 299 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN LQC1-N1180 Benzoic acid 9.6644 1242.9 3.3 scans 71% 179 m/z 5.2% 0.00986% 340 0.6 78 19118 287138 273084 1-1 7: 179 105 135 77 180 194 51 0.879 9.76 -5.6 90 91 71 90 194 11.4 2.143 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN VEN77_S6-N1002 Glycerol 10.0390 1264.8 5.4 scans 97% 299 m/z 0.014% 4.20% 376 0.4 1360 7083467 122384357 121859382 1-0 20: 299 73 300 314 301 147 133 205 283 207 315 211 193 117 191 103 74 316 135 218 1.000 10.09 -3.2 97 95 90 99 299 749.2 30.493 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6619 1301.3 3.0 scans 75% 199 m/z 1.2% 0.0529% 435 0.8 198 81538 1540696 1486963 3-1 19: 199 75 73 117 145 132 129 200 131 74 67 61 81 76 118 72 133 155 95 0.937 10.73 -4.3 99 97 96 99 209 2.9 0.000 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9954 1321.4 2.7 scans 66% 184 m/z 5.4% 0.00866% 467 1.0 83 18433 0.00884% 252264 242212 257397 0-2 13: 184 134 285 174 77 86 100 185 227 59 135 286 172 0.987 11.06 -4.1 93 93 83 93 285 26.4 10.164 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3721 1344.1 3.5 scans 85% 57 m/z 0.46% 0.0969% 502 0.8 243 214890 0.101% 2822251 2720428 2940845 3-1 20: 57 97 115 145 69 127 55 129 56 59 111 58 128 109 72 83 71 87 98 146 0.905 11.45 -4.4 97 96 96 99 145 67.2 7.630 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3826 1344.7 2.9 scans 19% 84 m/z (57 194) 1.4% 0.0191% 503 1.3 121 68473 0.0257% 556694 556694 748314 0-0 15: 84 133 161 162 119 92 51 118 134 63 78 103 120 93 52 0.913 10.96 25.7 84 90 85 96 161 30.3 6.247 0.427 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN TAB_REP6-N1026 Malic acid 13.4555 1472.7 2.6 scans 92% TIC 0.41% 0.0829% 700 1.1 267 240669 2416331 2300870 1-1 0.989 13.53 -4.9 97 96 95 96 335 29.6 1.236 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2657 1525.0 2.6 scans 54% 263 m/z 1.0% 0.0207% 777 1.0 131 93598 604299 599710 0-1 13: 263 264 278 265 175 279 239 128 247 103 342 207 105 0.957 14.33 -4.0 95 94 89 98 278 34.0 6.772 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6634 1551.4 2.9 scans 92% TIC 0.49% 0.0529% 815 1.4 209 200949 0.144% 1542735 1539515 4192887 1-0 0.997 14.16 33.1 93 94 92 98 250 38.8 3.462 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1044 Dodecanol 14.7171 1554.9 >4 scans 80% TIC 2.2% 0.0195% 820 0.9 119 44256 0.0762% 568750 565934 2218736 0-1 1.000 14.24 31.5 94 97 90 97 243 59.2 24.630 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1870 1654.9 2.9 scans 79% 290 m/z 1.3% 0.0277% 960 1.8 141 72151 0.0351% 808892 773642 1022016 1-0 11: 290 73 291 292 158 392 147 131 144 74 115 0.985 16.28 -6.2 86 80 74 98 392 16.7 1.402 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.0 scans 58% TIC 5.1% 0.00488% 993 0.8 83 19415 0.0503% 142214 142214 1464599 0-0 1.000 16.63 -6.5 82 82 85 82 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1010 Glycerol-P 17.4780 1746.8 2.7 scans 98% 357 m/z 0.035% 2.35% 1083 0.5 1365 2825014 68431054 67251787 0-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 256 103 101 387 133 129 218 328 1.000 16.97 37.3 96 99 99 99 445 212.1 2.417 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4218 1816.4 4.1 scans 90% 73 m/z 0.033% 3.22% 1172 0.5 1304 2959678 93859784 92544674 0-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 133 213 90 77 121 117 137 0.936 17.91 38.2 94 99 93 98 327 125.3 0.924 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1012 Phytol 18.5565 1826.7 3.2 scans 98% 68 m/z 0.072% 1.62% 1185 0.6 1068 1379353 1.79% 47440656 47440656 52119921 0-0 20: 68 95 82 57 55 69 123 81 67 83 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.6 94 98 99 99 278 59.4 0.310 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1016 Hexadecene 18.6186 1831.4 2.8 scans 91% TIC 0.30% 0.218% 1191 1.3 401 326641 5.12% 6374755 6143801 149080443 0-1 0.988 18.10 39.0 86 87 94 97 280 54.9 1.879 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.7 scans 63% 285 m/z (70) 2.1% 0.0301% 1194 1.0 152 46102 879276 876522 1-0 18: 285 117 75 132 129 145 286 131 118 61 201 300 287 76 130 116 241 257 0.954 18.73 -6.3 93 95 82 95 300 14.4 0.899 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.7 scans 94% 81 m/z 0.41% 0.251% 1213 1.1 459 238547 7313222 6994269 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 111 0.998 18.84 0.7 100 99 99 99 278 49.1 1.143 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1018 Fructose 18.9448 1856.3 2.7 scans 63% 73 m/z 2.3% 0.0166% 1222 1.0 124 42966 0.0258% 484607 464000 751226 1-3 20: 73 103 217 307 147 124 308 218 133 277 104 205 189 89 74 219 191 117 148 364 0.998 18.52 32.0 84 86 84 90 364 11.1 0.803 0.420 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0953 1867.8 2.9 scans 94% 81 m/z 0.22% 0.518% 1236 0.9 629 450652 15091019 15081237 1-0 20: 81 82 95 68 57 123 55 69 83 79 67 71 96 97 109 124 278 53 111 56 0.997 18.58 39.4 93 95 98 99 278 80.8 1.650 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN LQC1-N1068 Galactopyranose 19.2152 1876.9 2.7 scans 55% 204 m/z 2.7% 0.0108% 1248 1.1 93 36335 0.0198% 314804 306818 576522 1-0 8: 204 191 205 192 206 193 218 148 0.975 19.32 -7.6 84 84 83 84 435 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4698 1896.3 2.7 scans 52% 174 m/z 1.8% 0.0102% 1272 1.1 92 54117 297792 286042 1-1 7: 174 175 338 86 176 100 339 0.948 19.49 -1.5 82 81 75 85 338 18.7 4.114 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9076 1931.3 >2 scans 52% TIC 2.8% 0.00641% 1314 0.6 114 35180 0.0669% 186663 186663 1947946 0-0 1.000 19.91 -0.4 80 80 81 82 361 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2758 1960.9 2.7 scans 59% 204 m/z 1.7% 0.0193% 1349 0.9 122 58058 564430 527784 3-3 12: 204 191 205 147 217 206 192 218 193 219 189 148 0.993 20.41 -11.1 86 85 86 85 217 28.4 5.425 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7798 2001.5 2.9 scans 93% TIC 0.46% 0.273% 1396 1.1 451 215242 0.288% 7965949 7440364 8385775 1-6 1.000 20.27 41.3 85 86 95 98 322 28.0 0.385 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1038 C16:0 21.1449 2032.2 3.2 scans 98% 117 m/z 0.040% 2.26% 1431 0.5 1241 2465397 65951830 64797458 0-1 20: 117 73 75 132 129 145 314 55 131 118 57 133 69 74 315 201 116 269 130 83 1.000 20.62 43.9 94 99 99 100 328 134.5 1.176 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6605 2075.5 2.8 scans 45% 305 m/z 5.2% 0.0120% 1480 1.0 97 19169 349862 321512 4-3 16: 305 217 318 191 306 319 265 218 307 432 192 291 320 219 367 433 0.941 21.75 -7.4 87 88 73 88 507 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9562 2100.4 3.1 scans 69% TIC 2.7% 0.0304% 1508 1.0 152 35744 0.0911% 887705 807778 2652584 1-1 0.970 22.33 -32.6 92 95 89 96 342 17.6 1.342 -0.374 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1729 2119.3 2.8 scans 14% 396 m/z 13% 0.00239% 1529 1.1 44 7259 0.00327% 69746 69746 95213 0-0 6: 396 219 397 381 220 191 0.657 22.19 -1.2 81 84 47 85 396 24.0 29.844 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1042 C18:2 23.0557 2196.4 4.9 scans 82% 75 m/z (342) 0.24% 0.972% 1613 1.0 661 413311 4.29% 28319651 26654409 124913106 2-0 20: 75 337 67 81 55 95 82 96 117 68 54 262 79 338 69 150 80 109 110 220 0.996 22.53 45.6 89 95 97 99 352 38.7 0.342 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1599 2205.7 4.1 scans 95% TIC 0.046% 4.57% 1623 0.3 1551 2166770 5.79% 133286241 124860199 168589017 0-9 0.990 23.12 3.9 99 99 99 99 350 107.5 0.481 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1036 C18:0 23.4029 2228.0 2.7 scans 94% TIC 0.14% 0.592% 1646 0.9 666 699045 17253701 15390196 3-9 0.999 22.89 46.2 94 99 99 99 356 80.2 1.451 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1018 myo-Inositol 25.2159 2397.4 2.9 scans 69% 318 m/z 0.61% 0.127% 1818 1.0 302 161655 3723841 3162084 10-5 20: 318 315 299 147 387 319 316 320 389 217 300 388 317 191 301 433 432 343 246 148 0.967 25.21 0.6 97 96 94 98 470 20.8 0.475 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6178 2437.1 3.2 scans 62% 91 m/z (171) 0.30% 0.0999% 1856 1.2 252 326484 2909302 2528337 2-4 20: 91 117 194 207 92 115 65 208 193 103 77 104 312 118 78 51 116 128 195 179 0.988 25.61 0.8 97 98 98 99 312 27.7 1.209 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2986 2504.7 2.9 scans 36% 204 m/z 2.4% 0.0128% 1921 1.1 104 40750 373199 356229 2-0 7: 204 217 205 219 206 218 305 0.943 25.86 44.0 89 96 90 96 361 3.0 0.000 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5606 2531.8 2.8 scans 54% 512 m/z (218) 1.2% 0.0427% 1946 1.0 185 78123 1243993 1227118 1-0 15: 512 455 247 513 456 514 248 483 263 349 235 249 497 484 264 0.963 26.57 -1.3 93 95 85 95 512 58.6 9.997 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9310 2570.0 2.8 scans 94% 371 m/z 0.056% 0.882% 1981 0.9 851 1759635 25705108 25528501 0-1 20: 371 73 372 147 57 129 205 203 55 239 103 71 373 459 116 75 145 101 117 85 1.000 26.39 55.4 91 98 98 100 459 100.7 1.400 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN LQC1-N1008 Sucrose 27.4234 2621.6 2.8 scans 44% 361 m/z 0.92% 0.0565% 2028 0.9 213 108548 0.0579% 1646380 1559548 1685890 1-5 14: 361 217 362 437 363 271 451 438 319 243 439 331 452 364 0.880 27.59 -17.9 96 96 85 96 437 38.8 3.324 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN LQC1-N1010 Sucrose 27.4234 2621.6 2.8 scans 44% 361 m/z (397) 0.92% 0.0601% 2028 0.9 214 108369 0.0617% 1751712 1659324 1796536 1-5 14: 361 217 362 437 363 271 451 438 319 243 439 331 452 364 0.942 27.58 -16.6 95 96 88 97 437 38.7 3.272 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7302 2764.4 2.9 scans 90% 399 m/z 0.099% 0.542% 2152 0.9 664 1002821 15800621 15754487 0-1 20: 399 73 400 147 57 129 205 203 55 103 71 487 401 116 145 75 117 101 267 133 0.991 28.19 60.5 89 98 97 100 487 80.7 1.476 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1034 Nonacosane 29.5173 2852.9 2.9 scans 87% TIC 0.15% 0.293% 2227 0.8 502 661966 0.362% 8549514 8517990 10540453 0-2 0.997 29.50 1.4 95 92 98 99 408 16.3 0.106 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8424 2889.5 2.9 scans 88% 57 m/z 0.13% 0.363% 2258 0.8 528 745276 10592305 10239816 1-3 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 141 98 112 58 155 72 0.999 29.83 1.8 97 95 99 100 408 30.5 0.333 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4221 2957.7 >4 scans 75% TIC 0.62% 0.114% 2313 0.8 313 159092 0.656% 3332518 3324270 19100932 1-0 0.980 30.36 7.6 88 87 91 88 529 11.3 0.130 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4790 2964.5 2.9 scans 89% 57 m/z 0.081% 0.620% 2318 0.8 687 1220662 18076721 17585760 2-1 20: 57 71 85 56 393 55 69 83 97 99 70 113 392 394 127 111 84 141 58 155 0.999 30.46 1.9 98 96 99 100 393 150.2 4.786 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2123 3051.6 3.0 scans 76% 57 m/z 0.20% 0.233% 2388 1.0 430 478580 0.243% 6808951 6389640 7075498 6-1 20: 57 71 85 55 99 56 69 83 97 393 113 70 127 111 84 141 98 58 155 394 0.993 31.21 0.1 97 96 99 99 393 60.3 1.962 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1048 Hentriacontane 31.5291 3089.2 2.9 scans 86% 57 m/z 0.070% 0.710% 2418 0.8 746 1416702 20675289 19704591 1-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 126 0.999 31.53 -0.3 99 98 100 98 436 39.7 0.284 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8216 3123.9 2.8 scans 78% 502 m/z 0.10% 0.398% 2446 0.8 565 935280 11617085 10960707 3-1 15: 502 237 503 73 236 238 504 277 221 223 208 74 505 239 193 0.994 31.79 3.5 100 99 97 99 502 272.2 23.242 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9436 3138.4 3.5 scans 63% TIC 0.68% 0.252% 2457 0.9 433 146095 0.601% 7338695 5370324 17499482 3-0 0.972 31.87 9.0 90 90 91 96 458 59.0 1.862 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1162 3158.9 3.1 scans 47% 57 m/z 0.31% 0.119% 2474 1.0 334 318107 0.347% 3493190 3490258 10103694 0-1 18: 57 71 56 85 421 55 99 97 70 113 420 422 111 127 58 84 141 393 0.968 32.11 0.7 95 95 94 98 421 71.0 4.529 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1004 Campesterol 32.7885 3238.8 3.6 scans 62% 129 m/z (83) 0.34% 0.547% 2538 0.8 577 286304 0.708% 15949295 15371856 20615030 0-1 19: 129 343 382 472 367 95 107 121 75 119 344 105 81 383 145 342 91 93 159 0.991 32.21 68.7 82 95 95 98 472 81.7 2.001 0.579 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1126 3277.3 >4 scans 51% TIC 0.11% 0.250% 2569 1.1 583 851876 4.87% 7279900 7279900 141801125 0-0 0.971 33.10 1.9 83 80 88 91 515 24.2 0.172 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP1.FIN WTF2-N1034 b-Sitosterol 33.4956 3322.8 3.8 scans 59% 129 m/z 0.17% 1.18% 2605 0.7 865 571761 1.51% 34485590 33108370 43967084 2-2 20: 129 357 396 486 381 95 107 121 119 81 358 145 105 397 71 356 93 159 133 131 0.874 32.88 73.5 81 95 88 97 486 115.9 1.795 0.619 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 2.1 scans 43% 207 m/z 1.0% 0.0153% 27 1.8 128 99875 584577 502866 1-9 13: 207 295 208 209 296 191 297 193 279 192 210 177 189 0.821 6.63 -15.0 94 94 62 94 295 45.6 12.736 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1192 Contamination 7.9893 1144.2 2.5 scans 97% 73 m/z 0.086% 0.415% 181 0.6 634 1158955 15834217 15567148 3-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 103 100 149 131 134 221 0.996 7.99 -0.0 99 98 97 99 235 127.9 4.076 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1026 Cadaverine NC 8.1377 1153.0 3.3 scans 50% 174 m/z 4.2% 0.00505% 195 1.3 62 23360 0.0366% 192485 171957 1393867 0-1 9: 174 86 175 216 142 176 100 160 130 0.956 7.74 23.8 92 94 84 94 216 16.5 7.015 0.402 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1188 Contamination 8.3218 1163.9 3.8 scans 72% 281 m/z 3.6% 0.0142% 212 2.1 96 27689 541792 533549 0-2 12: 281 147 369 282 283 370 148 249 265 371 191 284 0.926 8.41 -5.5 94 93 72 96 369 27.9 8.451 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1186 Phosphate 8.5165 1175.4 2.2 scans 94% 241 m/z 0.30% 0.0488% 231 1.1 245 323864 1861163 1861163 0-0 18: 241 242 133 211 163 256 243 135 195 98 59 89 119 137 257 212 181 134 0.999 8.56 -2.6 100 99 98 99 299 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1180 Benzoic acid 9.6813 1243.9 3.5 scans 45% 179 m/z 7.2% 0.00522% 342 0.6 58 13851 0.00565% 199026 177737 215173 2-0 7: 179 105 135 77 194 180 51 0.537 9.76 -4.6 92 93 83 93 194 10.2 3.044 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN VEN77_S6-N1002 Glycerol 10.0590 1266.0 5.8 scans 99% 299 m/z 0.013% 3.54% 378 0.3 1297 7534368 135091996 133652126 0-1 20: 299 300 314 133 283 315 207 211 193 191 135 225 115 284 189 119 298 181 137 285 1.000 10.09 -2.0 98 97 93 99 299 734.9 32.269 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5262 1293.3 2.6 scans 30% 147 m/z (69) 2.3% 0.00681% 422 1.0 85 42872 0.0134% 259463 254631 510323 1-5 7: 147 148 245 149 115 74 143 0.986 10.60 -4.5 88 90 81 90 245 20.7 6.006 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6724 1302.0 3.2 scans 62% 199 m/z (69) 1.2% 0.0442% 436 0.7 185 78367 1684118 1607679 2-1 18: 199 75 117 145 132 200 129 131 67 118 81 74 76 61 72 201 68 95 0.962 10.73 -3.6 95 97 91 99 209 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1168 Glyceric acid 10.9513 1318.7 2.6 scans 58% 147 m/z 4.3% 0.00936% 462 1.1 88 23197 0.00979% 356635 291427 372840 5-13 14: 147 189 292 133 103 205 102 293 148 190 307 117 149 191 0.982 11.05 -6.2 84 80 82 93 292 26.3 8.848 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0081 1322.2 2.7 scans 52% 184 m/z 3.6% 0.00815% 468 0.9 89 27493 0.00885% 310365 307136 337042 1-0 17: 184 134 285 174 77 100 86 185 227 59 175 286 135 172 186 110 130 0.909 11.06 -3.3 94 95 75 95 285 29.3 10.900 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1162 Fumaric acid 11.2816 1338.6 >3 scans 38% TIC 7.0% 0.000751% 494 0.8 49 14163 0.0698% 28596 28596 2658248 0-0 1.000 11.39 -6.7 92 93 78 93 245 31.9 41.844 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3816 1344.6 4.7 scans 87% TIC 0.53% 0.0810% 503 0.6 218 186765 0.128% 3084879 2928681 4874725 1-0 0.988 11.45 -3.9 98 96 97 99 145 62.1 8.109 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1146 Malic acid 13.4639 1473.2 2.5 scans 96% TIC 0.080% 0.344% 701 0.9 596 1242276 13103987 12542213 1-1 0.999 13.62 -9.6 99 98 98 99 350 14.4 0.058 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2709 1525.3 2.7 scans 57% 263 m/z (71) 0.82% 0.0245% 778 0.9 155 121100 933212 888674 1-1 15: 263 264 278 265 447 279 175 448 174 449 247 336 149 191 119 0.989 14.33 -3.7 82 77 77 97 278 36.6 5.573 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6708 1551.8 7.6 scans 82% TIC 0.92% 0.0248% 816 1.7 145 108675 0.130% 947241 919466 4950892 2-0 0.996 14.16 33.5 93 95 93 97 250 26.9 3.467 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1044 Dodecanol 14.7234 1555.3 2.6 scans 66% 243 m/z 1.7% 0.0139% 821 0.9 117 57849 531186 515996 5-0 11: 243 244 103 89 97 245 115 61 101 111 76 0.965 14.24 31.9 92 94 89 96 243 64.4 30.519 0.481 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1118 Phenylalanine 15.5462 1610.4 2.6 scans 26% 218 m/z 11% 0.00130% 899 0.7 36 8704 49746 49746 1-0 3: 218 192 219 0.709 15.66 -7.8 82 87 47 84 294 0.0 0.000 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1891 1655.0 2.8 scans 45% 290 m/z (195) 1.2% 0.0154% 960 1.8 113 82859 587160 580378 0-2 7: 290 291 292 392 158 144 115 0.986 16.28 -6.1 95 97 89 97 392 17.0 2.280 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN TAB_REP6-N1042 Ribose 16.2943 1662.3 2.9 scans 42% 103 m/z 5.7% 0.00655% 970 1.0 80 17301 0.0124% 249751 248668 472239 0-1 10: 103 307 217 160 189 308 104 277 218 89 0.977 16.10 13.3 88 88 78 90 307 25.3 9.877 0.191 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5363 1679.1 3.0 scans 61% TIC 3.0% 0.00859% 993 0.6 105 32393 0.0457% 327154 272016 1740429 2-0 0.966 16.63 -6.3 86 87 88 89 210 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1010 Glycerol-P 17.4654 1745.9 2.7 scans 92% TIC 0.20% 0.332% 1081 0.9 537 476412 12661011 11568764 4-1 0.979 16.97 36.4 96 99 98 99 445 81.7 2.318 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN TAB_REP6-N1048 Citric acid 18.2398 1802.5 2.7 scans 53% 273 m/z 2.7% 0.0144% 1155 1.0 120 36415 548797 537851 0-1 15: 273 363 274 347 375 156 465 211 275 221 257 364 376 231 183 0.925 18.24 -0.3 90 87 83 94 465 16.7 1.925 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4282 1816.9 4.3 scans 94% TIC 0.030% 2.83% 1173 0.5 1320 3226666 108113183 100657704 1-3 0.992 17.91 38.7 96 99 98 100 327 124.7 0.893 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1012 Phytol 18.5650 1827.3 2.9 scans 97% 68 m/z 0.056% 1.56% 1186 0.5 1162 1767662 1.80% 59433232 58411516 68550818 4-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 39.2 94 98 99 99 278 67.3 0.335 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6512 1833.9 2.7 scans 47% 285 m/z 1.4% 0.0310% 1194 1.0 173 70306 1181167 1032495 5-1 15: 285 117 132 129 286 145 118 287 300 201 130 61 241 116 185 0.999 18.73 -5.8 95 94 82 94 300 16.9 0.954 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8564 1849.5 2.7 scans 95% 81 m/z 0.29% 0.371% 1214 0.9 577 340737 0.423% 14158595 13296918 16109442 1-3 20: 81 82 264 95 68 57 123 55 69 67 83 79 71 96 124 97 109 279 265 73 0.999 18.87 -1.1 94 92 95 97 278 62.7 1.180 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1072 Fructose 18.9459 1856.4 2.6 scans 87% 73 m/z 0.28% 0.121% 1222 1.1 355 353976 4633745 4550229 1-1 20: 73 103 307 217 147 308 277 218 133 74 104 189 309 205 117 364 89 219 148 278 0.999 19.03 -6.6 95 94 96 95 364 33.4 0.884 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1002 Phytol 18.8min 19.1005 1868.2 3.3 scans 80% TIC 0.17% 0.623% 1237 0.6 686 582075 23743165 23020556 1-2 0.841 18.84 19.9 84 80 96 94 278 91.9 1.792 0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1026 1868.3 2.9 scans 81% 81 m/z (73) 0.16% 0.534% 1237 0.8 693 620879 20350909 19557700 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.998 18.58 39.9 91 96 98 99 278 92.2 1.770 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1068 Galactopyranose 19.2152 1876.9 >3 scans 41% TIC 2.4% 0.00337% 1248 0.8 101 40330 0.392% 128456 128456 14928845 0-0 0.972 19.32 -7.6 81 81 82 82 435 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN BRA4_R~2-N1004 Galactose 19.2668 1880.8 2.8 scans 78% 73 m/z 0.53% 0.0764% 1253 1.0 267 185494 0.241% 2912073 2848230 9178193 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 269 229 74 207 189 148 133 161 157 0.990 19.36 -7.3 94 92 92 95 364 16.1 0.365 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1062 Glucose 19.5140 1899.7 2.8 scans 41% 319 m/z (174) 2.9% 0.0181% 1276 1.0 128 33457 690716 626378 4-1 10: 319 160 320 103 217 321 229 307 157 218 0.967 19.66 -11.4 82 84 61 85 319 42.0 10.778 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9107 1931.6 2.8 scans 17% 299 m/z (204 73) 5.4% 0.00809% 1314 1.1 88 18205 308291 308291 1-0 6: 299 300 231 146 301 314 0.794 19.97 -5.0 80 83 62 97 314 9.3 1.103 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9202 1932.3 2.9 scans 65% 204 m/z (73) 0.93% 0.0336% 1315 1.1 166 106630 1283375 1179068 1-2 12: 204 217 159 205 206 218 160 219 305 203 243 291 0.961 19.91 0.6 89 90 90 93 361 7.1 0.182 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2811 1961.3 2.7 scans 53% 204 m/z 1.1% 0.0197% 1349 1.2 140 85547 753401 738594 2-1 12: 204 191 205 217 206 192 218 193 305 219 291 435 0.994 20.41 -10.7 90 90 88 90 217 34.4 6.014 -0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7956 2002.8 3.0 scans 94% TIC 0.13% 0.794% 1398 0.7 833 764963 0.822% 30268939 29007382 31304874 0-2 0.997 20.27 42.6 82 82 94 98 322 56.9 0.467 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1038 C16:0 21.1702 2034.3 4.0 scans 97% 313 m/z 0.024% 3.30% 1434 0.3 1463 4058632 125878024 123963685 1-0 20: 313 117 73 132 75 129 145 314 55 328 131 133 118 201 315 269 69 57 285 74 1.000 20.62 46.0 94 99 99 100 328 168.1 1.322 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6679 2076.1 2.9 scans 55% 305 m/z (73) 3.1% 0.0214% 1481 0.9 138 32153 816834 761320 3-2 18: 305 217 318 147 191 306 319 265 218 307 432 320 192 433 291 367 221 393 0.964 21.75 -6.8 90 92 88 92 507 7.0 0.256 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9646 2101.1 3.7 scans 64% TIC 2.1% 0.0339% 1509 0.9 166 46895 0.153% 1292435 1192202 5826820 1-1 0.953 22.33 -31.9 93 96 91 97 342 20.1 1.466 -0.365 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1040 Phytol 22.6328 2159.5 3.7 scans 95% TIC 0.031% 0.918% 1573 0.9 788 3177177 34978095 31929938 5-10 0.999 22.08 48.0 80 81 89 97 181 12.7 0.026 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1042 C18:2 23.0726 2197.9 >4 scans 88% 337 m/z (342) 0.12% 1.07% 1614 0.4 821 810234 4.76% 40810182 39992850 181278830 3-0 10: 337 262 129 220 72 221 118 179 183 180 0.983 22.53 47.1 86 92 96 99 352 42.7 0.271 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2062 2210.0 8.3 scans 90% 79 m/z 0.039% 8.96% 1627 0.1 1599 2529636 341335865 313142515 2-7 20: 79 75 73 95 93 67 91 81 80 129 94 55 117 77 122 105 109 131 145 78 0.979 23.12 8.2 95 94 96 94 350 118.0 0.545 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1036 C18:0 23.4156 2229.1 2.6 scans 92% 341 m/z 0.088% 0.620% 1647 0.8 797 1126866 23624008 22852161 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 83 0.999 22.89 47.3 93 99 98 99 356 102.9 1.668 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1532 2296.5 3.3 scans 31% 204 m/z (333 98) 1.2% 0.0230% 1717 1.0 133 82416 0.0302% 878842 831623 1150130 1-5 16: 204 217 205 337 147 103 206 338 218 219 191 361 189 243 203 339 0.951 24.01 13.0 85 89 83 90 490 0.0 0.000 0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1532 2296.5 3.3 scans 37% 204 m/z 1.1% 0.0240% 1717 1.0 144 84879 0.0315% 917089 867816 1199639 1-5 16: 204 217 205 337 147 103 206 338 218 219 191 361 189 243 203 339 0.764 24.18 -2.6 84 83 81 87 581 0.0 0.000 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1018 myo-Inositol 25.2233 2398.1 3.2 scans 57% 318 m/z (280) 0.74% 0.0957% 1819 1.0 260 134584 3647261 3065724 10-6 17: 318 315 299 387 319 316 389 320 300 388 317 191 301 433 432 343 246 0.954 25.21 1.3 93 94 87 98 470 17.0 0.426 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6284 2438.2 3.7 scans 39% 91 m/z 0.58% 0.0462% 1857 1.5 179 171911 0.0568% 1760465 1628266 2163159 4-4 15: 91 117 194 207 92 208 193 65 312 104 118 51 179 178 102 0.935 25.61 1.9 96 97 96 97 312 20.1 1.265 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4122 2516.5 3.0 scans 91% 204 m/z 0.020% 1.52% 1932 0.7 1149 4936553 58262305 54530088 7-1 18: 204 73 205 147 217 495 206 117 363 273 496 130 74 191 75 143 231 319 0.999 26.35 6.5 96 95 98 95 495 181.0 2.499 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5669 2532.4 >9 scans 26% TIC 1.6% 0.00844% 1946 1.5 172 62156 0.569% 321753 321753 21669675 0-0 0.951 26.57 -0.7 93 93 78 94 512 56.6 10.841 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9426 2571.2 3.0 scans 88% 371 m/z 0.037% 1.05% 1982 0.8 975 2660093 40076140 38315353 1-1 20: 371 372 73 147 57 129 205 203 239 373 459 55 71 103 116 75 145 117 101 85 1.000 26.39 56.6 90 98 98 100 459 120.6 1.534 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7386 2765.3 3.2 scans 91% TIC 0.073% 0.589% 2153 0.9 723 1367393 22444791 22061366 1-1 0.997 28.19 61.4 89 98 98 100 487 89.8 1.543 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1034 Nonacosane 29.5236 2853.6 3.2 scans 79% 57 m/z 0.18% 0.232% 2227 1.0 442 549861 8852562 8256322 2-2 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 84 141 393 58 366 364 0.998 29.50 2.1 94 91 98 99 408 15.7 0.127 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8456 2889.8 3.1 scans 84% 57 m/z 0.15% 0.268% 2258 1.0 482 662482 10211911 9894515 1-3 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 58 112 155 86 0.997 29.83 2.1 96 93 99 100 408 29.7 0.380 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4832 2965.0 3.4 scans 89% TIC 0.093% 0.495% 2319 0.8 627 1073898 0.612% 18884134 17707498 23307278 0-2 1.000 30.46 2.4 98 96 99 100 393 140.9 5.053 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2187 3052.3 3.5 scans 66% 57 m/z (199) 0.26% 0.208% 2389 1.1 374 380086 0.250% 7922763 7127579 9520947 3-6 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 84 141 394 392 58 98 0.990 31.21 0.8 96 97 99 99 393 54.6 2.139 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1048 Hentriacontane 31.5301 3089.3 3.0 scans 80% 57 m/z 0.086% 0.477% 2418 0.9 642 1149549 18184754 16731537 2-3 20: 57 71 85 55 99 69 97 83 113 56 70 127 111 84 141 98 155 112 58 126 0.999 31.53 -0.2 98 98 99 98 436 36.7 0.327 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6995 3109.4 4.0 scans 17% 204 m/z (429) 1.1% 0.0399% 2434 0.5 137 89887 0.143% 1520849 1421990 5445982 2-0 10: 204 597 205 337 217 206 598 599 338 191 0.912 31.68 2.8 86 89 80 88 597 19.3 1.990 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8258 3124.4 3.3 scans 74% 502 m/z 0.11% 0.313% 2446 0.8 506 840612 11941332 11672699 1-1 15: 502 237 503 73 236 504 238 277 221 223 208 74 239 505 235 0.987 31.79 4.0 100 99 97 99 502 245.5 23.493 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9521 3139.4 3.4 scans 54% 329 m/z 0.63% 0.224% 2458 1.1 418 156517 8552745 8167716 1-1 10: 329 368 353 458 330 121 119 107 328 369 0.953 31.87 10.0 88 87 91 93 458 60.0 2.058 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1194 3159.3 3.4 scans 32% 57 m/z 0.38% 0.0820% 2474 1.1 293 260265 0.245% 3123014 3123014 9330528 0-0 17: 57 71 56 85 421 97 99 70 420 113 422 111 127 84 141 393 58 0.984 32.11 1.1 91 89 91 96 421 65.5 4.986 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1004 Campesterol 32.7959 3239.7 4.0 scans 52% 129 m/z 0.36% 0.370% 2538 0.8 512 274993 0.476% 14121020 13408291 18127883 1-1 19: 129 343 382 472 367 95 121 107 344 119 383 75 342 105 81 145 91 93 255 0.883 32.21 69.6 83 95 84 96 472 80.1 2.445 0.586 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1046 Stigmasterol 33.0000 3263.9 3.6 scans 83% 83 m/z 0.044% 1.69% 2558 0.6 1153 2245116 2.32% 64593971 64259725 88354388 1-0 20: 83 129 455 55 255 394 69 484 81 139 75 133 159 145 97 71 105 119 421 355 0.957 32.98 2.1 81 75 91 94 665 50.9 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1095 3276.9 3.7 scans 47% 57 m/z (83) 0.14% 0.321% 2568 1.2 494 696954 1.30% 12230092 12230092 49508924 0-0 17: 57 71 85 55 69 56 113 70 111 141 127 112 155 98 125 58 126 0.987 33.10 1.5 88 90 93 93 515 24.4 0.243 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN WTF2-N1034 b-Sitosterol 33.5040 3323.8 3.7 scans 65% 129 m/z 0.15% 1.21% 2606 0.6 930 654360 1.41% 46391391 40896290 53698141 3-3 19: 129 357 396 486 381 75 95 81 107 121 119 145 105 397 358 57 356 159 133 0.931 32.88 74.5 82 95 93 98 486 121.6 1.711 0.627 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6082 3336.1 3.5 scans 32% 386 m/z (83) 0.86% 0.208% 2616 0.9 386 115635 7931877 7416393 1-3 7: 386 296 281 387 371 120 379 0.935 33.58 2.8 87 88 87 93 505 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9134 3372.4 3.8 scans 0.90% 441 m/z 2.5% 0.00660% 2645 1.0 66 38534 0.00715% 251431 224071 272299 0-1 5: 441 442 646 308 647 0.974 33.80 14.0 87 90 52 91 646 15.2 5.350 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6026 3454.2 3.6 scans 2.7% 596 m/z 0.45% 0.0556% 2710 0.9 197 219999 2117936 2055633 1-1 9: 596 597 598 599 600 595 581 580 468 0.538 34.47 15.5 93 97 69 98 596 125.6 40.439 0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN EXBLK5S-N1006 Contamination 6.3732 1048.4 2.1 scans 66% 207 m/z 0.69% 0.0244% 27 1.3 170 143075 0.0384% 815871 815871 1282774 0-0 17: 207 73 295 208 209 296 191 297 279 193 189 192 210 177 247 119 280 0.945 6.63 -14.9 97 96 90 97 295 53.2 9.816 -0.252 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1192 Contamination 8.0440 1147.4 2.6 scans 94% 147 m/z 0.15% 0.294% 186 0.8 465 625352 9851427 8154376 21-1 20: 147 73 133 220 235 59 148 146 72 86 74 89 160 100 75 103 149 131 134 221 0.990 7.99 3.2 96 95 95 97 235 93.8 4.080 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1026 Cadaverine NC 8.1366 1152.9 2.3 scans 68% 174 m/z 2.2% 0.00873% 195 1.0 91 43875 0.0282% 291644 285613 942037 3-0 10: 174 175 216 142 86 176 130 160 217 156 0.972 7.74 23.7 91 90 83 96 216 21.3 5.439 0.401 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1188 Contamination 8.3176 1163.6 2.2 scans 69% 281 m/z 2.5% 0.0123% 212 1.1 111 39267 413847 357366 1-4 12: 281 147 369 282 283 370 265 371 249 148 207 191 0.939 8.41 -5.8 95 95 75 97 369 32.2 8.456 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1186 Phosphate 8.5722 1178.7 2.4 scans 98% 241 m/z 0.029% 0.695% 236 0.9 803 3417293 23238099 22641517 1-0 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 75 137 134 181 164 1.000 8.56 0.7 100 99 99 100 299 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN VEN77_S6-N1002 Glycerol 10.0811 1267.3 5.1 scans 96% 299 m/z 0.011% 4.14% 380 0.4 1389 8587874 138522225 138268780 2-0 20: 299 73 300 314 301 147 133 283 207 315 205 211 193 191 316 135 74 117 103 225 1.000 10.09 -0.7 98 97 92 99 299 774.6 31.253 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7019 1303.7 3.2 scans 71% 199 m/z 1.4% 0.0557% 439 0.6 183 68106 1863325 1747416 4-1 17: 199 75 117 145 200 132 129 131 76 74 61 118 81 201 72 133 96 0.770 10.73 -1.9 94 91 91 99 209 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0344 1323.7 2.7 scans 52% 184 m/z 7.2% 0.00689% 470 0.8 75 13703 230442 230442 1-0 9: 184 134 285 174 100 86 59 185 286 1.000 11.06 -1.8 86 86 66 89 285 21.1 7.832 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4005 1345.8 6.1 scans 86% TIC 0.65% 0.0932% 505 0.5 195 152760 0.122% 3114215 2892954 4075479 2-0 0.984 11.45 -2.7 98 97 95 99 145 56.3 8.369 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6752 1362.3 2.4 scans 68% TIC 4.4% 0.00540% 531 1.1 79 22421 0.0138% 180616 180616 460997 0-0 0.970 11.79 -6.6 88 87 84 90 262 10.5 1.764 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN TAB_REP6-N1026 Malic acid 13.4734 1473.8 2.5 scans 90% TIC 0.42% 0.0790% 702 0.9 262 233414 0.0994% 2640925 2383221 3320513 2-2 0.983 13.53 -3.8 97 96 93 96 335 31.1 1.407 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2836 1526.2 2.8 scans 61% 263 m/z 0.73% 0.0296% 779 1.0 156 136895 990926 935108 1-1 18: 263 264 278 239 265 447 342 279 448 207 103 240 343 449 149 247 105 135 0.973 14.33 -2.8 86 81 84 96 278 37.6 5.816 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6834 1552.7 >4 scans 77% TIC 1.0% 0.0194% 817 1.2 129 90967 0.144% 648978 648978 4810401 0-0 0.996 14.16 34.4 92 95 92 97 250 24.6 3.611 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1044 Dodecanol 14.7350 1556.1 2.7 scans 67% 243 m/z 1.4% 0.0182% 822 1.0 124 66939 609889 608584 1-0 10: 243 244 103 89 97 245 101 61 76 111 0.967 14.24 32.7 92 95 90 96 243 68.4 30.195 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1986 1655.7 2.8 scans 46% 290 m/z (195) 1.1% 0.0183% 961 1.8 114 89279 614602 604294 0-1 7: 290 291 292 392 144 115 100 0.972 16.28 -5.4 94 96 86 96 392 16.3 2.038 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5468 1679.8 2.9 scans 70% TIC 1.7% 0.0159% 994 1.0 140 57059 0.0966% 531244 531244 3226977 0-0 0.978 16.63 -5.6 94 94 92 93 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1010 Glycerol-P 17.4928 1747.9 3.2 scans 97% 357 m/z 0.029% 2.72% 1084 0.6 1395 3356831 90933681 90900748 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 129 387 133 256 218 328 1.000 16.97 38.4 96 99 98 99 445 219.3 2.473 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4366 1817.5 4.1 scans 88% 73 m/z 0.031% 2.87% 1174 0.5 1257 3207856 95932766 91239572 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 66 133 90 213 77 121 0.939 17.91 39.3 94 99 93 98 327 123.9 0.972 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1012 Phytol 18.5744 1828.0 3.0 scans 97% 68 m/z 0.058% 1.75% 1187 0.5 1126 1705505 2.06% 58530134 57486538 68815460 4-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 110 70 1.000 18.04 39.9 94 98 99 99 278 66.1 0.344 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1016 Hexadecene 18.6344 1832.6 3.0 scans 90% TIC 0.26% 0.242% 1193 1.3 415 378879 4.92% 8093920 7649467 164355371 0-1 0.997 18.10 40.2 84 84 92 97 280 59.7 2.075 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6586 1834.4 2.7 scans 55% 285 m/z (70) 1.3% 0.0403% 1195 1.1 176 72010 0.370% 1348203 1184693 12360058 13-1 16: 285 117 132 129 286 145 131 118 287 116 201 300 241 61 130 187 0.953 18.73 -5.3 94 96 83 96 300 16.5 0.884 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1002 Phytol 18.8min 18.8627 1850.0 2.7 scans 94% 82 m/z 0.33% 0.284% 1214 1.1 487 302935 9514274 9472124 0-3 20: 82 81 95 68 57 123 55 69 83 67 79 71 96 97 124 109 53 56 110 111 0.997 18.84 1.7 99 98 99 99 278 55.9 1.322 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1018 Fructose 18.9532 1856.9 2.9 scans 55% 73 m/z 2.0% 0.0184% 1223 0.9 122 48015 0.0281% 615269 546364 938696 0-3 20: 73 103 307 217 147 308 309 277 218 104 364 172 133 189 74 89 205 131 148 117 0.980 18.52 32.6 88 91 91 91 364 12.0 0.966 0.428 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9543 1857.0 6.4 scans 65% TIC 1.6% 0.0137% 1223 1.1 133 60089 0.241% 459414 459414 8050741 0-0 0.986 18.40 42.0 89 94 93 95 364 12.6 0.896 0.550 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN BRA4_R~2-N1004 Galactose 19.2741 1881.4 2.7 scans 34% 319 m/z 4.4% 0.00972% 1253 0.9 88 22421 0.0138% 324787 298814 460997 0-1 6: 319 205 160 320 269 321 0.943 19.36 -6.7 86 86 74 87 364 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9275 1932.9 3.0 scans 70% 204 m/z 0.29% 0.106% 1315 1.2 268 336625 3559822 3081802 12-2 17: 204 217 159 205 147 206 129 218 103 191 133 189 160 219 243 305 203 0.964 19.91 1.2 96 95 91 98 361 13.8 0.267 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8051 2003.6 2.9 scans 94% 75 m/z 0.13% 0.826% 1399 0.8 811 742917 0.873% 27607921 26151880 29163057 2-1 20: 75 73 79 67 93 95 91 129 108 80 55 81 117 94 307 121 77 107 135 145 0.999 20.27 43.4 82 82 94 98 322 54.9 0.459 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1038 C16:0 21.1733 2034.6 3.5 scans 98% 117 m/z 0.023% 3.45% 1434 0.4 1480 4177815 115368914 115313609 1-0 20: 117 313 73 75 132 129 145 314 55 131 118 133 328 69 57 201 74 315 116 269 1.000 20.62 46.3 94 99 99 100 328 169.3 1.309 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1042 myo-Inositol 21.6721 2076.5 3.0 scans 23% 305 m/z (73) 8.0% 0.00915% 1481 1.0 77 12400 0.0404% 305790 260596 1349585 5-2 9: 305 217 318 191 306 265 319 218 307 0.852 21.77 -8.6 84 86 67 92 318 21.4 7.691 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9730 2101.8 3.7 scans 67% TIC 1.8% 0.0467% 1510 0.9 177 55484 0.162% 1560974 1442605 5411701 0-2 0.959 22.33 -31.2 94 97 92 97 342 21.8 1.511 -0.357 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2136 2210.7 7.5 scans 93% 79 m/z 0.036% 8.74% 1628 0.2 1659 2766327 9.81% 292193490 291397292 327708575 0-1 20: 79 75 73 95 67 93 108 80 81 91 107 55 129 94 121 77 117 135 149 122 0.996 23.12 8.9 96 95 98 95 350 117.9 0.505 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1036 C18:0 23.4250 2230.0 2.7 scans 90% 341 m/z 0.098% 0.661% 1648 0.8 742 1013587 22085761 21311991 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 116 297 0.999 22.89 48.2 93 99 98 99 356 96.0 1.674 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1616 2297.3 3.4 scans 34% 204 m/z (333) 0.79% 0.0440% 1718 0.9 158 125969 0.0528% 1470727 1231343 1763814 1-15 16: 204 205 217 147 337 103 206 219 338 218 191 339 361 189 243 291 0.981 24.01 13.8 88 90 85 91 490 0.0 0.000 0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1616 2297.3 3.4 scans 40% 204 m/z 0.81% 0.0454% 1718 0.9 170 123245 0.0545% 1518259 1271139 1820603 1-15 16: 204 205 217 147 337 103 206 219 338 218 191 339 361 189 243 291 0.768 24.18 -1.8 90 91 84 92 581 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1018 myo-Inositol 25.2317 2398.9 4.5 scans 65% TIC 0.52% 0.191% 1820 1.5 300 191035 0.261% 6407847 5548492 8718852 1-8 0.882 25.21 2.1 96 95 91 99 470 19.7 0.429 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6410 2439.4 3.9 scans 37% 91 m/z 0.81% 0.0376% 1858 1.4 146 122685 0.0463% 1256947 1208608 1546678 3-3 16: 91 117 194 207 208 92 193 65 115 312 51 178 118 179 102 165 0.904 25.61 3.1 95 97 94 97 312 17.4 1.433 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3207 2507.0 3.4 scans 53% 204 m/z 0.55% 0.0718% 1923 1.1 212 179271 0.291% 2401069 1915804 9721019 21-0 8: 204 217 205 147 219 206 218 101 0.959 25.86 46.3 85 88 91 99 361 9.8 0.000 0.465 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5753 2533.3 3.1 scans 28% 512 m/z 1.9% 0.0373% 1947 1.2 162 50883 1248305 1141506 4-4 16: 512 455 247 513 456 514 483 248 263 349 457 497 484 235 423 409 0.966 26.57 0.2 94 94 78 94 512 59.6 13.469 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9510 2572.1 3.1 scans 89% 371 m/z 0.036% 1.28% 1983 0.8 977 2750280 42972702 38823276 2-2 20: 371 372 73 147 57 129 205 203 239 373 55 459 103 71 116 75 145 85 117 101 1.000 26.39 57.5 90 97 97 100 459 122.2 1.569 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN LQC1-N1014 Sucrose 27.4371 2623.1 3.1 scans 14% 361 m/z 1.5% 0.0207% 2029 1.1 131 62585 691776 661703 1-1 10: 361 362 437 363 271 451 438 452 439 364 0.735 27.49 -5.6 88 88 74 94 437 27.4 4.372 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7492 2766.5 3.1 scans 91% 399 m/z 0.058% 0.842% 2154 0.9 783 1708062 28150653 27089332 1-1 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 75 117 101 267 85 0.999 28.19 62.6 89 98 97 100 487 99.4 1.614 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1034 Nonacosane 29.5320 2854.6 3.3 scans 78% 57 m/z 0.20% 0.243% 2228 1.1 412 487328 8143016 7865538 2-1 20: 57 71 85 55 99 56 69 83 365 97 113 70 127 111 84 141 393 155 58 366 0.998 29.50 3.1 95 92 98 99 408 15.5 0.141 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8571 2891.1 3.2 scans 84% 57 m/z 0.13% 0.346% 2259 1.1 498 718141 11579781 11237774 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 86 58 0.997 29.83 3.4 95 92 99 100 408 30.9 0.384 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4369 2959.5 5.1 scans 60% 73 m/z (204) 0.67% 0.272% 2314 1.6 301 147359 0.299% 9104868 7387278 9988263 16-6 20: 73 427 147 103 206 411 428 133 74 164 143 148 185 189 326 101 195 530 157 90 0.989 30.36 9.4 86 88 89 89 529 12.7 0.179 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4906 2965.9 3.6 scans 79% 57 m/z 0.11% 0.489% 2319 0.9 543 845477 16357114 14781981 8-4 20: 57 71 85 56 393 55 69 83 99 97 70 113 392 394 111 127 84 141 58 155 0.999 30.46 3.3 99 97 99 100 393 125.7 5.363 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2271 3053.3 3.7 scans 66% 57 m/z 0.30% 0.181% 2389 1.2 345 330837 6046803 5798409 3-1 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 84 141 394 421 392 155 0.986 31.21 1.8 97 96 99 99 393 51.3 2.217 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1048 Hentriacontane 31.5385 3090.3 3.5 scans 83% TIC 0.083% 0.702% 2419 0.5 654 1191049 0.720% 23455307 19973587 24052006 11-4 0.998 31.53 0.8 99 98 100 99 436 36.3 0.308 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7027 3109.8 7.4 scans 15% 204 m/z 1.5% 0.0125% 2434 0.9 118 62511 0.0830% 417818 417818 2772662 0-0 9: 204 597 217 205 73 598 337 129 206 0.884 31.68 3.2 86 87 80 86 597 15.7 1.769 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8353 3125.6 3.2 scans 79% 502 m/z 0.092% 0.448% 2447 0.9 563 1082709 14988357 14524881 1-1 15: 502 237 503 73 236 238 504 277 221 208 223 239 74 505 193 0.997 31.79 5.2 100 99 98 99 502 275.0 23.835 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.9 scans 62% TIC 0.75% 0.174% 2459 0.9 376 132129 0.614% 5833219 5150077 20511016 2-0 0.984 31.87 11.2 93 92 93 96 458 53.0 1.990 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1267 3160.2 3.5 scans 31% 57 m/z 0.47% 0.0801% 2475 1.1 256 210218 0.150% 2677379 2677379 5010834 0-0 15: 57 71 56 85 421 99 70 97 420 113 422 127 141 393 58 0.981 32.11 2.0 93 93 92 95 421 57.8 5.121 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN WTF2-N1004 Campesterol 32.8022 3240.4 3.7 scans 57% 129 m/z 0.37% 0.408% 2539 1.0 509 263448 13652902 12900595 1-1 19: 129 343 382 472 367 95 107 344 121 119 105 383 81 342 145 75 93 159 131 0.903 32.21 70.3 83 95 89 97 472 77.8 2.336 0.592 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1046 Stigmasterol 33.0074 3264.8 3.7 scans 59% 129 m/z (83) 0.19% 1.11% 2559 0.6 810 524899 37120962 36916944 0-1 20: 129 55 255 69 394 81 484 75 133 159 119 145 105 97 107 355 93 95 351 91 0.938 32.98 3.0 93 95 83 96 665 0.0 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1200 3278.1 7.5 scans 57% TIC 0.15% 0.196% 2569 1.2 481 626120 2.66% 6557647 6557647 88858798 0-0 0.992 33.10 2.7 85 83 91 91 515 19.8 0.170 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6135 3336.8 3.7 scans 32% 386 m/z (83) 1.1% 0.196% 2616 1.1 340 88350 6567091 6252640 1-2 7: 386 296 281 387 394 379 120 0.955 33.58 3.5 87 89 88 93 505 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6089 3455.0 4.3 scans 21% 596 m/z (99) 0.50% 0.0941% 2711 1.0 217 198099 3144844 3023976 3-1 9: 596 597 598 302 318 303 581 523 314 0.938 34.47 16.3 95 97 91 99 596 117.6 29.368 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN EXBLK5S-N1006 Contamination 6.3700 1048.2 1.9 scans 42% 207 m/z 0.75% 0.0156% 27 1.0 139 132570 688698 559972 1-8 16: 207 295 208 209 296 191 297 279 210 193 177 189 192 247 280 298 0.718 6.63 -15.1 97 97 70 97 295 51.4 13.671 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1192 Contamination 8.1030 1150.9 2.7 scans 96% 147 m/z 0.12% 0.308% 192 0.6 504 825585 13588570 12416662 11-0 19: 147 73 133 220 235 148 59 146 72 86 74 89 103 160 100 149 131 134 221 1.000 7.99 6.7 97 96 97 97 235 103.0 4.178 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1188 Contamination 8.3218 1163.9 6.5 scans 67% 281 m/z 4.6% 0.0144% 212 3.8 77 21634 638527 638527 0-1 10: 281 369 282 283 370 371 148 265 207 249 0.922 8.41 -5.5 92 91 70 94 369 21.7 7.984 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1186 Phosphate 8.6122 1181.1 2.2 scans 93% 241 m/z 0.20% 0.0652% 240 1.2 284 495477 2873348 2710064 1-1 20: 241 242 133 211 163 243 256 73 135 195 98 59 89 137 212 119 164 257 121 181 0.998 8.56 3.1 100 100 98 100 299 0.0 0.000 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1180 Benzoic acid 9.7518 1248.0 3.8 scans 32% 179 m/z 8.3% 0.00422% 348 0.5 45 12080 185964 164971 6-0 4: 179 105 135 180 0.756 9.76 -0.5 92 93 83 93 194 7.3 2.629 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LACTIC~1-N1034 Glycerol 10.0369 1264.7 >6 scans 27% 218 m/z (299) 0.64% 0.0945% 376 0.8 208 156128 0.191% 4166050 4045240 8417011 1-0 2: 218 204 0.901 10.11 -4.3 92 96 83 95 293 15.0 0.523 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN VEN77_S6-N1002 Glycerol 10.1000 1268.4 6.5 scans 90% 299 m/z 0.012% 4.25% 382 0.2 1338 8366160 187387816 187387816 0-0 4: 299 318 257 319 0.998 10.09 0.4 98 97 93 98 299 727.8 29.743 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7229 1305.0 3.4 scans 67% 199 m/z 1.5% 0.0415% 441 0.5 165 66355 1830075 1667263 8-1 16: 199 75 117 145 132 200 129 131 74 118 61 81 76 96 107 101 0.795 10.73 -0.6 95 93 91 99 209 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0554 1325.0 2.9 scans 62% 184 m/z 3.7% 0.00922% 472 0.8 92 26844 0.00948% 406299 373184 417766 3-1 17: 184 134 285 174 100 77 86 185 227 286 172 59 135 130 110 186 175 0.974 11.06 -0.5 96 96 89 96 285 27.9 9.307 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1162 Fumaric acid 11.3206 1341.0 >3 scans 31% TIC 7.2% 0.000693% 497 1.7 42 13837 0.0502% 30552 30552 2212220 0-0 0.977 11.39 -4.3 88 92 74 92 245 29.6 49.040 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4195 1346.9 8.3 scans 81% TIC 0.80% 0.0667% 507 0.7 168 124210 0.128% 2942513 2942513 5640720 0-0 0.995 11.45 -1.6 98 97 97 99 145 48.4 8.283 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4437 1348.4 3.0 scans 48% 84 m/z (115) 1.3% 0.0154% 509 1.3 110 75366 0.0249% 680346 576425 1097296 11-0 16: 84 133 162 161 92 51 78 63 134 120 159 52 91 163 93 104 0.967 10.96 29.4 86 89 88 94 161 28.9 6.906 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1146 Malic acid 13.4786 1474.2 2.6 scans 96% 73 m/z (231) 0.14% 0.174% 703 1.0 418 689632 7692353 7618999 2-0 20: 73 147 233 245 133 189 190 148 75 335 191 74 175 101 55 149 234 177 217 59 1.000 13.62 -8.6 97 98 97 98 350 8.7 0.043 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN TAB_REP6-N1026 Malic acid 13.4786 1474.2 2.6 scans 96% 73 m/z 0.14% 0.172% 703 1.0 419 691030 7615697 7543074 2-0 20: 73 147 233 245 133 189 190 148 75 335 191 74 175 101 55 149 234 177 217 59 0.999 13.53 -3.4 100 99 98 99 335 51.0 1.485 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9753 1505.7 2.8 scans 33% 156 m/z 2.8% 0.00561% 750 1.0 74 35135 247273 247273 1-0 6: 156 258 157 230 158 232 0.589 14.11 -9.0 84 82 78 91 273 0.0 0.000 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6876 1553.0 >3 scans 74% TIC 2.1% 0.00764% 817 1.2 90 46543 0.0938% 337075 333962 4133590 2-0 0.994 14.16 34.7 85 86 84 93 250 17.7 3.885 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 3.2 scans 82% TIC 1.0% 0.0259% 822 0.6 145 92753 0.0466% 1145321 1095313 2053575 0-1 0.976 14.24 32.6 95 97 94 98 243 76.6 27.828 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1986 1655.7 2.9 scans 47% 290 m/z (195) 1.1% 0.0158% 961 1.8 113 90529 699493 690104 0-2 8: 290 291 292 392 158 144 115 100 0.994 16.28 -5.4 95 96 89 98 392 17.6 2.431 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5490 1680.0 2.8 scans 83% 55 m/z 0.84% 0.0389% 994 1.2 198 119238 0.0699% 1718239 1623741 3080362 4-0 18: 55 83 69 73 97 56 70 84 111 82 98 127 113 68 112 140 67 96 0.999 16.63 -5.4 95 95 97 95 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1010 Glycerol-P 17.4980 1748.3 3.3 scans 97% TIC 0.026% 2.48% 1085 0.4 1412 3861029 109343818 107412387 1-1 0.997 16.97 38.8 95 99 98 99 445 223.9 2.518 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5622 1752.9 2.6 scans 42% 217 m/z 2.2% 0.0106% 1091 1.1 104 43987 0.178% 469223 469223 7844126 0-0 8: 217 218 450 219 257 305 232 148 0.965 17.63 -5.1 80 80 65 82 450 15.1 2.129 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN TAB_REP6-N1048 Citric acid 18.2482 1803.1 2.9 scans 66% 273 m/z 1.3% 0.0281% 1156 1.0 163 72683 0.0301% 1240263 1133936 1326450 0-1 19: 273 147 363 347 274 375 465 275 211 364 148 376 348 149 257 305 221 466 183 0.971 18.24 0.3 97 96 92 98 465 22.9 1.970 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4398 1817.8 4.3 scans 94% TIC 0.029% 2.63% 1174 0.5 1264 3423075 4.38% 116015387 105932399 193018376 1-4 0.991 17.91 39.6 95 99 98 100 327 121.5 0.924 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1012 Phytol 18.5786 1828.3 3.5 scans 97% 68 m/z 0.059% 1.55% 1187 0.5 1072 1682510 1.83% 68507103 66360642 80644664 4-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 56 79 70 137 1.000 18.04 40.2 94 98 99 99 278 64.5 0.362 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1016 Hexadecene 18.6376 1832.8 3.1 scans 86% TIC 0.20% 0.246% 1193 1.5 454 498169 4.06% 10857182 10636225 178916577 0-1 0.993 18.10 40.4 85 86 93 97 280 67.0 2.182 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6607 1834.6 2.8 scans 57% 285 m/z (70) 0.73% 0.0575% 1195 1.0 231 137137 0.836% 2535850 2239564 36840950 2-2 20: 285 117 73 75 132 129 286 145 131 118 287 201 300 116 74 241 257 133 130 76 0.951 18.73 -5.1 96 97 85 97 300 22.0 0.913 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1002 Phytol 18.8min 18.8648 1850.2 2.8 scans 95% 81 m/z 0.29% 0.262% 1214 1.0 492 343616 11558579 11485014 0-4 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 124 97 109 53 278 56 110 0.997 18.84 1.9 97 96 99 97 278 57.1 1.348 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1018 Fructose 18.9511 1856.8 2.7 scans 48% 103 m/z 2.5% 0.0111% 1223 0.7 103 39980 0.0114% 493273 488222 502377 3-0 10: 103 307 217 308 277 218 104 309 89 189 0.981 18.52 32.5 86 90 89 89 364 10.2 0.970 0.426 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9522 1856.8 5.1 scans 59% TIC 2.0% 0.0139% 1223 0.8 114 49004 0.187% 613333 583497 8240739 0-1 0.992 18.40 41.8 87 92 88 93 364 10.1 0.780 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN BRA4_R~2-N1004 Galactose 19.2720 1881.2 2.8 scans 46% 319 m/z 2.9% 0.0107% 1253 1.0 102 34336 0.0126% 473008 450357 555258 0-1 11: 319 205 160 320 206 321 161 229 89 207 157 0.973 19.36 -6.9 91 91 85 91 364 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9255 1932.8 3.2 scans 85% TIC 0.26% 0.136% 1315 1.3 292 373915 0.177% 5998665 5528387 7800058 0-1 0.986 19.91 1.1 96 94 94 99 361 13.8 0.222 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8051 2003.6 3.1 scans 94% TIC 0.15% 0.599% 1399 0.9 729 661343 0.656% 26416271 25164541 28908688 2-4 0.999 20.27 43.4 83 83 94 99 322 49.4 0.459 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1038 C16:0 21.1723 2034.5 3.5 scans 98% 117 m/z 0.023% 2.67% 1434 0.4 1423 4268121 117775557 117704481 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 328 118 57 69 201 74 116 269 315 1.000 20.62 46.2 94 99 99 100 328 163.3 1.318 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6700 2076.3 2.9 scans 38% 305 m/z 2.5% 0.0176% 1481 1.0 128 39463 779153 744584 4-2 16: 305 217 318 191 306 265 319 218 307 432 320 192 433 367 219 291 0.998 21.75 -6.6 90 90 77 91 507 7.4 0.333 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9720 2101.7 3.3 scans 53% 327 m/z 2.1% 0.0255% 1510 1.4 143 45829 1124514 1055150 2-1 9: 327 117 132 328 342 118 201 146 299 0.950 22.33 -31.3 93 95 89 97 342 18.5 1.688 -0.358 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1898 2120.8 3.6 scans 23% 396 m/z 3.1% 0.0101% 1530 1.5 85 31493 0.0111% 447355 432830 489156 1-0 9: 396 219 397 381 398 220 307 293 249 0.859 22.19 0.3 90 91 58 91 396 44.7 27.509 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1040 Phytol 22.6338 2159.5 3.5 scans 92% 143 m/z 0.032% 0.715% 1573 1.1 731 3127393 31527977 28614517 2-4 20: 143 73 75 144 123 81 57 55 145 69 124 95 71 103 97 83 82 67 74 96 1.000 22.08 48.0 80 81 90 97 181 12.6 0.030 0.550 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 7.8 scans 98% 339 m/z 0.034% 7.63% 1628 0.5 1616 2874615 8.35% 336638286 313257347 367968823 0-4 16: 339 336 98 84 340 222 188 354 102 180 341 223 236 257 355 194 0.996 23.12 8.8 98 97 99 97 350 116.5 0.520 0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1036 C18:0 23.4261 2230.1 2.8 scans 90% TIC 0.088% 0.600% 1648 1.2 741 1142101 0.629% 26449021 24165604 27718849 2-3 0.978 22.89 48.3 92 99 95 99 356 97.5 1.732 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1616 2297.3 3.6 scans 26% 204 m/z (333) 0.84% 0.0260% 1718 0.8 134 119106 0.0313% 1147575 1027677 1379332 0-9 14: 204 205 217 337 147 103 206 338 219 218 361 101 339 362 0.882 24.01 13.8 86 89 69 89 490 0.0 0.000 0.152 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1616 2297.3 3.6 scans 28% 204 m/z 0.85% 0.0243% 1718 0.8 139 117266 0.0292% 1072115 960100 1286789 0-9 14: 204 205 217 337 147 103 206 338 219 218 361 101 339 362 0.666 24.18 -1.8 87 89 69 90 581 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1018 myo-Inositol 25.2296 2398.7 4.0 scans 69% TIC 0.53% 0.159% 1819 1.7 305 187360 0.223% 7015129 5421582 9827191 3-7 0.949 25.21 1.9 97 95 94 100 470 21.1 0.482 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6420 2439.5 3.9 scans 45% 91 m/z 0.69% 0.0330% 1859 1.4 150 144921 1454306 1379453 2-3 12: 91 117 194 207 92 115 65 104 51 118 102 178 0.972 25.61 3.2 97 97 96 97 312 18.2 1.475 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5753 2533.3 3.2 scans 30% 512 m/z 1.6% 0.0333% 1947 1.2 165 62619 0.0335% 1471778 1416544 1476282 1-1 14: 512 455 247 513 456 514 483 248 263 349 457 409 235 515 0.948 26.57 0.2 93 93 78 94 512 58.2 12.372 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9510 2572.1 3.0 scans 89% 371 m/z 0.036% 0.953% 1983 0.8 926 2722828 42014965 39233524 2-2 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 117 85 101 0.999 26.39 57.5 89 97 97 100 459 117.5 1.615 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1014 Sucrose 27.4360 2622.9 3.1 scans 50% 361 m/z 0.30% 0.117% 2029 1.1 322 332701 5163282 5144569 0-1 10: 361 362 437 363 271 451 438 439 364 452 0.942 27.49 -5.8 98 97 90 98 437 60.9 3.568 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1010 Sucrose 27.4360 2622.9 3.1 scans 53% 361 m/z (397) 0.30% 0.127% 2029 1.1 330 332573 5618472 5598109 0-1 10: 361 362 437 363 271 451 438 439 364 452 0.980 27.58 -15.3 96 97 94 98 437 60.6 3.369 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN LQC1-N1008 Sucrose 27.4381 2623.2 4.3 scans 52% TIC 0.31% 0.117% 2029 1.5 329 320885 0.425% 5158809 4852818 18728952 2-0 0.906 27.59 -16.3 97 96 89 97 437 59.3 3.254 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7492 2766.5 3.2 scans 89% 399 m/z 0.060% 0.620% 2154 0.8 728 1667624 27336102 26659856 4-0 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 101 75 267 85 117 0.997 28.19 62.6 88 98 97 100 487 93.8 1.661 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1034 Nonacosane 29.5352 2854.9 3.4 scans 79% 57 m/z 0.15% 0.262% 2229 0.9 462 658366 11561431 11110741 2-2 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 84 141 393 366 364 155 0.998 29.50 3.4 93 90 97 98 408 16.3 0.125 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8635 2891.8 3.1 scans 87% 57 m/z 0.077% 0.501% 2260 0.8 651 1304611 22103948 21292138 0-15 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 126 0.999 29.83 4.1 95 92 98 99 408 42.3 0.423 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4958 2966.5 3.6 scans 89% TIC 0.080% 0.498% 2320 0.6 643 1245002 0.710% 21963871 20633493 31288367 0-3 0.999 30.46 3.9 98 96 99 100 393 150.0 5.447 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2303 3053.7 3.5 scans 68% 57 m/z 0.20% 0.195% 2390 0.9 405 499196 0.204% 8635360 8359390 8989897 6-1 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 141 84 394 155 98 58 0.986 31.21 2.2 98 97 99 99 393 60.9 2.260 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1048 Hentriacontane 31.5501 3091.7 3.6 scans 83% 57 m/z 0.054% 0.813% 2420 0.6 804 1846342 35859295 34748558 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 72 58 0.996 31.53 2.2 96 94 98 99 436 48.1 0.358 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8490 3127.2 3.2 scans 84% 502 m/z 0.041% 0.781% 2449 0.6 801 2402829 34441163 32353271 1-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 239 74 505 193 0.997 31.79 6.8 100 99 99 100 502 390.1 23.749 0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9657 3141.1 4.3 scans 67% TIC 0.39% 0.310% 2460 1.0 495 252283 0.582% 13680850 12938441 25647647 1-0 0.958 31.87 11.7 89 88 92 93 458 69.4 1.965 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1299 3160.6 3.2 scans 30% 57 m/z 0.36% 0.0716% 2475 1.1 285 275866 0.202% 3158260 3158260 8901761 0-0 17: 57 71 56 85 421 99 70 97 420 113 422 111 127 141 84 58 393 0.952 32.11 2.4 94 94 93 97 421 64.1 5.048 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN WTF2-N1004 Campesterol 32.8086 3241.2 3.7 scans 49% 343 m/z 0.29% 0.396% 2540 0.8 548 344981 17483548 16961667 0-2 15: 343 129 382 472 367 107 344 121 119 383 342 105 145 159 255 0.884 32.21 71.1 82 95 85 96 472 87.0 2.524 0.599 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN QC1-N1046 Stigmasterol 33.0116 3265.3 3.5 scans 62% 83 m/z (99) 0.11% 1.42% 2559 0.7 1012 913192 2.09% 63001114 57764618 92102376 6-0 20: 83 455 73 129 55 139 255 394 421 484 81 69 71 456 169 361 75 97 159 145 0.903 32.98 3.5 91 92 85 96 665 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9207 3373.2 3.8 scans 1.2% 441 m/z 2.8% 0.00494% 2645 1.0 58 34882 0.00537% 217681 201417 236646 0-1 3: 441 442 646 0.977 33.80 14.8 86 88 52 89 646 13.4 5.424 0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6204 3456.3 3.8 scans 5.3% 596 m/z 0.31% 0.0812% 2712 0.7 240 316094 3579710 3467572 1-1 13: 596 597 598 599 600 581 524 454 468 440 523 482 594 0.065 34.47 17.6 93 96 70 98 596 141.5 34.856 0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN EXBLK5S-N1006 Contamination 6.3563 1047.4 2.1 scans 72% 207 m/z 0.59% 0.0253% 26 1.3 172 174384 1158100 1113168 0-8 16: 207 295 208 209 296 191 297 279 193 189 177 210 192 247 163 265 0.991 6.63 -15.9 97 96 86 97 295 55.1 10.276 -0.269 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1192 Contamination 7.9609 1142.5 2.7 scans 95% 147 m/z 0.081% 0.398% 178 0.8 610 1277306 18201042 16993646 3-1 20: 147 73 133 235 220 148 146 59 72 86 74 89 75 103 160 100 149 131 134 236 0.996 7.99 -1.7 98 97 97 98 235 125.5 4.231 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1026 Cadaverine NC 8.1145 1151.6 >4 scans 50% TIC 5.4% 0.00280% 193 2.3 53 18968 127759 127759 0-0 0.969 7.74 22.4 93 94 85 94 216 12.6 5.642 0.378 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1188 Contamination 8.2986 1162.5 2.9 scans 51% 281 m/z 5.0% 0.00589% 210 2.0 67 20494 268752 253564 1-1 9: 281 369 282 370 283 207 265 371 249 0.921 8.41 -6.9 92 91 73 95 369 21.2 9.860 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1186 Phosphate 8.4943 1174.1 2.2 scans 96% 241 m/z 0.075% 0.185% 229 1.0 462 1384880 8484141 8196443 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 147 137 134 212 257 181 0.998 8.56 -3.9 100 99 99 100 299 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1180 Benzoic acid 9.6602 1242.7 3.5 scans 36% 179 m/z (217) 7.4% 0.00382% 340 0.7 49 13934 0.00425% 174615 157536 193913 1-0 6: 179 105 135 194 180 51 0.994 9.76 -5.8 90 93 83 93 194 9.2 3.480 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN VEN77_S6-N1002 Glycerol 10.0263 1264.1 >5 scans 55% 299 m/z 0.012% 2.16% 374 0.9 1011 8374091 2.61% 98762527 98762527 119085370 0-0 5: 299 303 286 126 214 0.996 10.09 -3.9 99 98 96 98 299 702.7 48.563 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6545 1300.9 3.2 scans 70% 199 m/z 1.2% 0.0406% 434 0.9 180 80665 1855123 1705922 5-1 18: 199 75 117 145 132 200 129 131 118 74 76 79 81 61 201 72 96 155 0.827 10.73 -4.7 94 93 90 99 209 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9954 1321.4 2.9 scans 75% 184 m/z 1.9% 0.0182% 467 0.8 125 53830 0.0185% 830489 823213 844092 2-1 19: 184 134 285 174 77 86 100 185 227 59 286 172 130 135 178 175 78 60 110 0.979 11.06 -4.1 98 98 93 98 285 39.2 9.806 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3616 1343.4 3.9 scans 85% 57 m/z 0.51% 0.0658% 501 0.7 207 201426 0.0679% 3003211 2702264 3098045 3-3 19: 57 97 115 145 127 69 55 129 56 59 111 109 128 58 72 83 87 146 98 0.989 11.45 -5.1 98 97 96 99 145 60.8 8.627 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3826 1344.7 3.1 scans 26% 84 m/z (57) 1.4% 0.0152% 503 1.4 105 72019 696547 612337 6-4 11: 84 133 162 161 78 51 63 134 120 52 163 0.961 10.96 25.7 85 87 87 93 161 28.2 7.216 0.427 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1146 Malic acid 13.4460 1472.1 2.6 scans 91% TIC 0.45% 0.0592% 699 1.0 237 228373 2701255 2559758 2-1 0.997 13.62 -10.7 96 95 92 95 350 0.0 0.000 -0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN TAB_REP6-N1026 Malic acid 13.4460 1472.1 2.6 scans 87% 73 m/z 0.47% 0.0558% 699 1.1 232 221189 2549914 2490853 3-0 19: 73 147 233 245 133 148 190 189 74 234 175 191 101 55 149 335 265 217 246 0.998 13.53 -5.5 97 96 94 96 335 27.2 1.375 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6539 1550.7 2.8 scans 69% 174 m/z 1.4% 0.0108% 814 1.1 100 73919 0.0114% 495382 495382 520143 0-0 9: 174 175 86 176 250 100 130 87 65 1.000 14.16 32.4 82 81 84 93 250 20.6 4.255 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1044 Dodecanol 14.7097 1554.4 2.8 scans 92% TIC 0.46% 0.0507% 820 0.7 211 225463 0.109% 2316229 2315729 4973297 0-1 0.997 14.24 31.0 97 99 98 99 243 115.3 29.898 0.468 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1754 1654.1 3.0 scans 73% 290 m/z (195) 0.32% 0.0638% 959 2.0 213 320859 0.0661% 2915013 2672244 3015917 1-1 15: 290 73 291 292 392 158 144 131 115 74 393 293 172 160 200 0.986 16.28 -7.0 98 99 96 100 392 31.8 2.234 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5300 1678.7 2.8 scans 92% 55 m/z 0.30% 0.137% 993 1.0 333 344613 0.150% 6264138 5307585 6843987 9-4 20: 55 73 69 83 70 97 56 57 84 111 127 82 113 98 68 71 96 140 67 125 0.999 16.63 -6.7 99 98 99 98 210 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1010 Glycerol-P 17.4812 1747.0 3.7 scans 97% 357 m/z 0.024% 2.95% 1083 0.4 1450 4288523 134719685 134662776 1-0 20: 357 299 73 358 315 147 300 211 359 103 101 301 129 133 256 218 328 75 131 341 0.998 16.97 37.5 96 99 98 99 445 229.5 2.509 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN TAB_REP6-N1048 Citric acid 18.2293 1801.7 2.8 scans 37% 273 m/z 3.0% 0.0100% 1154 1.1 98 33928 459940 453023 0-1 16: 273 363 375 274 347 465 275 156 211 364 376 466 221 183 348 257 0.750 18.24 -1.1 89 90 58 94 465 16.2 2.728 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4197 1816.2 4.3 scans 94% TIC 0.030% 2.54% 1172 0.5 1215 3423332 4.38% 115949111 106114407 199844414 1-4 0.982 17.91 38.0 96 99 98 99 327 116.2 0.916 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1012 Phytol 18.5607 1827.0 3.5 scans 96% 68 m/z 0.056% 1.59% 1186 0.4 1082 1838095 1.91% 72935726 70765353 87146765 3-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 85 70 1.000 18.04 38.9 94 98 99 99 278 65.9 0.371 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1016 Hexadecene 18.6186 1831.4 2.8 scans 88% TIC 0.16% 0.268% 1191 1.2 488 627802 4.13% 12261278 11972360 188437770 0-3 0.986 18.10 39.0 85 85 94 97 280 73.8 2.284 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6396 1833.0 2.7 scans 41% 285 m/z 0.95% 0.0406% 1193 1.2 197 109225 0.281% 1856485 1676542 12821069 12-1 17: 285 117 75 132 129 286 145 118 131 287 300 201 116 61 241 130 257 0.996 18.73 -6.7 96 96 83 96 300 19.8 1.008 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1002 Phytol 18.8min 18.8469 1848.8 2.6 scans 95% 81 m/z 0.23% 0.313% 1213 0.9 543 452577 14305016 13531363 1-4 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 97 124 109 278 53 110 56 0.997 18.84 0.5 97 96 99 97 278 64.2 1.398 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9311 1855.2 5.2 scans 60% TIC 1.5% 0.0200% 1221 0.8 125 65117 0.229% 913353 913353 10448487 0-0 0.957 18.40 40.2 89 94 92 95 364 11.1 0.788 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1018 Fructose 18.9321 1855.3 2.8 scans 49% 307 m/z 2.0% 0.0136% 1221 0.8 112 50105 0.0138% 623865 607040 629647 4-1 12: 307 103 217 308 277 172 218 309 364 104 189 89 0.961 18.52 31.0 88 91 89 92 364 11.5 1.041 0.407 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0931 1867.6 3.0 scans 96% 81 m/z 0.14% 0.562% 1236 0.7 699 732458 25667528 25043303 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.2 92 95 98 99 278 98.3 1.979 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN BRA4_R~2-N1004 Galactose 19.2510 1879.6 2.7 scans 43% 319 m/z 2.9% 0.0104% 1251 0.9 100 35575 0.0199% 476776 431309 907969 2-2 9: 319 205 160 320 321 229 161 157 89 0.946 19.36 -8.5 90 90 82 90 364 0.0 0.000 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1068 Galactopyranose 19.3278 1885.5 2.8 scans 59% 204 m/z 1.4% 0.0225% 1258 1.4 139 69517 0.0460% 1028718 970242 2098823 1-8 11: 204 191 205 192 206 193 189 228 243 291 203 0.858 19.32 1.0 84 81 82 88 435 5.9 0.179 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9065 1931.2 2.9 scans 79% 204 m/z 0.22% 0.107% 1313 1.4 298 459405 4885092 4528171 3-2 18: 204 217 159 205 147 206 129 218 103 191 133 189 160 219 203 305 291 148 0.985 19.91 -0.5 95 93 93 99 361 13.7 0.213 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2611 1959.7 >3 scans 26% TIC 4.4% 0.00112% 1347 1.2 65 23442 0.0401% 51407 51407 1829626 0-0 0.891 20.41 -12.3 81 82 75 83 217 16.3 6.258 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7882 2002.2 3.1 scans 95% TIC 0.12% 0.719% 1397 0.8 782 810885 0.737% 32829361 31880201 33626788 1-4 0.999 20.27 42.0 83 83 94 98 322 54.4 0.484 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1038 C16:0 21.1544 2033.0 4.0 scans 98% 117 m/z 0.024% 2.86% 1432 0.4 1367 4281568 130832870 129819515 1-0 20: 117 73 75 132 129 145 314 55 131 118 133 57 69 315 201 74 269 116 285 83 1.000 20.62 44.7 94 99 99 100 328 157.5 1.329 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6521 2074.8 3.0 scans 35% 305 m/z 2.5% 0.0189% 1479 1.1 127 41394 866386 824565 3-3 17: 305 217 318 191 306 319 265 307 218 367 432 433 192 320 219 266 293 0.995 21.75 -8.1 91 90 77 91 507 8.7 0.471 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9541 2100.2 4.1 scans 60% TIC 2.1% 0.0302% 1508 0.9 157 49398 0.124% 1382029 1380595 5657696 0-1 0.929 22.33 -32.8 92 94 91 96 342 19.1 1.483 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1687 2118.9 3.6 scans 25% 396 m/z 3.1% 0.0103% 1529 1.6 85 32952 0.0115% 470456 454123 524706 1-0 7: 396 219 381 398 220 249 293 0.720 22.19 -1.6 90 91 59 92 396 44.1 27.151 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1040 Phytol 22.6169 2158.1 3.6 scans 93% 143 m/z 0.026% 0.858% 1571 1.0 787 3887836 39186132 36613150 2-1 20: 143 73 75 144 123 81 57 55 145 69 124 95 71 103 97 83 82 67 74 96 1.000 22.08 46.6 81 81 90 97 181 13.1 0.028 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 8.4 scans 91% 79 m/z 0.033% 8.59% 1628 0.1 1618 3150321 8.76% 392121047 364283425 399688829 2-1 20: 79 75 73 95 93 108 67 335 80 91 107 81 94 129 121 55 149 135 77 122 0.987 23.12 8.8 94 94 97 93 350 118.1 0.532 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1036 C18:0 23.4071 2228.3 2.7 scans 87% 341 m/z 0.089% 0.536% 1646 0.9 711 1158254 24492602 22247937 2-4 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 0.994 22.89 46.5 93 98 96 99 356 93.0 1.713 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7123 2256.2 2.9 scans 22% 163 m/z 0.66% 0.0233% 1675 1.0 147 156915 0.0270% 1064648 1042257 1231918 2-6 7: 163 331 164 165 332 88 90 0.643 23.72 -0.7 92 94 67 95 331 37.3 6.439 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1384 2295.2 3.3 scans 36% 204 m/z 0.61% 0.0371% 1716 0.9 177 168384 0.0475% 1695126 1635308 2167262 1-6 12: 204 205 217 337 147 103 206 218 338 191 219 101 0.783 24.18 -3.9 91 93 84 93 581 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1018 myo-Inositol 25.2085 2396.7 5.4 scans 59% TIC 0.73% 0.0961% 1817 1.3 247 141805 0.168% 4388086 4021176 7665265 2-0 0.933 25.21 -0.1 97 96 93 99 470 15.8 0.411 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6210 2437.4 3.5 scans 40% 91 m/z 0.68% 0.0299% 1857 1.3 147 153199 0.0376% 1366880 1199060 1715559 6-4 13: 91 117 194 207 92 115 312 208 65 193 51 178 63 0.968 25.61 1.1 95 97 94 96 312 19.2 1.700 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5532 2531.0 2.9 scans 51% 512 m/z 0.44% 0.103% 1945 1.0 310 235632 4741069 4701554 1-1 15: 512 455 247 513 456 483 514 248 263 349 207 457 484 249 409 0.942 26.57 -2.1 98 97 89 99 512 103.5 11.143 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9278 2569.7 2.7 scans 87% 371 m/z 0.044% 0.675% 1981 0.7 814 2334751 0.679% 30808266 29254142 30980447 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 75 117 145 313 101 0.999 26.39 55.1 90 97 97 100 459 102.4 1.585 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1010 Sucrose 27.4118 2620.4 2.9 scans 59% 361 m/z (397) 0.21% 0.157% 2027 0.9 375 475654 7188302 7115951 0-1 11: 361 362 437 363 271 451 438 319 439 452 364 0.983 27.58 -17.8 97 98 95 99 437 70.2 3.500 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN LQC1-N1014 Sucrose 27.4118 2620.4 2.9 scans 57% 361 m/z 0.21% 0.145% 2027 0.9 368 475647 6648219 6581305 0-1 11: 361 362 437 363 271 451 438 319 439 452 364 0.971 27.49 -8.3 99 99 92 99 437 70.1 3.630 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.5959 2640.0 3.2 scans 27% 99 m/z 0.68% 0.0571% 2044 1.0 231 150992 0.0935% 2607105 2477260 4266085 0-1 12: 99 71 189 173 269 100 187 287 544 270 288 368 0.825 27.64 -5.0 82 83 83 86 632 8.3 0.130 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3598 2722.7 3.3 scans 54% TIC 0.41% 0.0516% 2117 1.1 264 249248 0.0928% 2354516 2276794 4234146 0-2 0.948 28.41 -5.7 81 79 79 90 603 8.9 0.114 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1030 C18:0-2-glycerol 28.6681 2757.4 3.0 scans 42% 189 m/z 0.90% 0.0441% 2146 1.0 223 114904 0.151% 2016445 1920221 6889613 3-0 18: 189 341 117 145 129 457 188 357 342 458 190 131 358 267 343 98 146 130 0.957 28.67 0.1 88 88 81 92 457 29.1 1.703 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7249 2763.8 2.8 scans 85% 399 m/z 0.083% 0.409% 2152 0.8 609 1247285 0.421% 18698034 18488519 19208790 1-0 15: 399 400 73 147 129 205 401 487 203 103 116 145 267 101 133 0.997 28.19 59.9 89 97 97 100 487 78.6 1.664 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1034 Nonacosane 29.5109 2852.2 3.0 scans 77% 57 m/z 0.14% 0.236% 2226 0.9 462 698287 10801254 10411023 3-0 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 141 84 393 155 366 364 0.998 29.50 0.7 94 91 97 98 408 16.5 0.128 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8371 2888.9 3.1 scans 79% 57 m/z 0.10% 0.411% 2257 0.9 562 1037317 18781124 16554678 3-23 20: 57 71 85 55 99 69 83 113 56 70 127 84 111 141 98 155 112 58 72 86 0.997 29.83 1.2 92 87 98 99 408 35.6 0.401 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4726 2963.7 2.9 scans 79% 57 m/z 0.089% 0.417% 2318 0.7 597 1168058 0.435% 19046923 17178273 19847562 2-7 20: 57 71 85 393 56 55 69 99 83 97 392 70 394 113 127 111 141 84 155 58 0.998 30.46 1.1 98 96 99 100 393 143.2 5.762 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2081 3051.1 3.1 scans 64% 57 m/z 0.21% 0.180% 2388 1.0 383 475086 0.209% 8249961 7083035 9535955 17-2 20: 57 71 85 55 99 56 69 393 83 113 97 70 127 111 141 84 394 155 392 58 0.989 31.21 -0.4 97 96 99 99 393 59.0 2.367 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1048 Hentriacontane 31.5269 3088.9 3.1 scans 79% 57 m/z (443) 0.066% 0.619% 2418 0.6 704 1562953 28265449 27315883 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 126 82 0.999 31.53 -0.6 96 96 99 99 436 42.1 0.359 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6848 3107.7 7.6 scans 24% 204 m/z (429) 1.0% 0.0504% 2433 1.1 167 96221 0.363% 2303693 2010296 16562448 0-3 9: 204 597 205 337 598 206 599 129 338 0.877 31.68 1.1 81 84 78 86 597 17.7 1.116 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8215 3123.9 3.1 scans 80% 502 m/z 0.058% 0.498% 2446 0.7 657 1778624 22728967 22016038 1-1 16: 502 237 503 73 236 504 238 57 277 221 208 223 239 505 74 193 0.997 31.79 3.5 100 99 98 100 502 323.8 24.318 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9447 3138.6 3.4 scans 69% TIC 0.36% 0.289% 2458 0.7 513 284110 13197512 12113551 1-0 0.975 31.87 9.2 95 94 94 98 458 74.7 2.122 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1077 3157.9 3.1 scans 28% 57 m/z 0.41% 0.0606% 2473 1.1 263 252258 0.177% 2765660 2735040 8075904 0-1 15: 57 71 56 85 421 99 70 420 113 422 127 141 393 84 58 0.956 32.11 -0.3 94 95 93 97 421 61.2 5.410 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1004 Campesterol 32.7864 3238.5 3.7 scans 47% 343 m/z 0.36% 0.322% 2538 0.7 486 284755 14693777 13668435 0-2 13: 343 129 382 472 367 344 107 121 383 119 105 342 255 0.935 32.21 68.4 83 95 88 96 472 76.5 2.483 0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1046 Stigmasterol 32.9884 3262.5 3.5 scans 54% 129 m/z (83) 0.17% 0.907% 2557 0.7 813 607330 41419807 39671529 1-0 20: 129 55 73 255 394 69 484 81 75 159 133 145 119 105 97 107 351 93 355 147 0.935 32.98 0.7 93 95 85 96 665 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN WTF2-N1034 b-Sitosterol 33.4872 3321.8 5.3 scans 78% 471 m/z 0.14% 1.10% 2604 0.9 867 736145 2.91% 50489883 50489883 132773344 0-0 5: 471 99 472 473 300 0.846 32.88 72.5 82 95 91 99 486 117.8 1.847 0.610 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5945 3334.5 3.3 scans 23% 386 m/z 0.95% 0.135% 2614 1.0 326 108568 6181246 5696884 1-3 7: 386 296 281 387 394 379 371 0.866 33.58 1.2 84 87 76 91 505 34.5 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8965 3370.4 3.4 scans 1.3% 441 m/z 2.3% 0.00556% 2643 1.1 63 44096 0.00598% 253997 239795 272847 0-1 4: 441 442 647 646 0.980 33.80 12.0 88 90 54 90 646 11.7 3.387 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4615 3437.5 4.4 scans 13% 505 m/z 2.0% 0.0395% 2697 1.2 156 50628 0.101% 1802643 1718518 4608284 1-0 18: 505 271 331 506 475 241 507 223 201 491 332 476 272 325 508 326 242 493 0.860 34.59 -15.1 81 82 53 82 596 0.0 0.000 -0.127 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5909 3452.8 3.7 scans 7.3% 596 m/z (99) 0.31% 0.0770% 2709 0.8 228 333597 3516384 3385952 1-2 14: 596 597 598 316 599 356 600 580 581 482 523 524 510 594 0.728 34.47 14.1 94 97 77 99 596 140.3 37.925 0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN EXBLK5S-N1006 Contamination 6.3532 1047.2 2.5 scans 64% 207 m/z 0.77% 0.0272% 25 2.4 151 135684 1195426 1128639 1-3 15: 207 295 208 209 296 191 297 279 84 193 189 210 177 192 247 0.960 6.63 -16.1 97 96 87 96 295 47.6 9.986 -0.272 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1192 Contamination 7.9399 1141.3 2.6 scans 96% 73 m/z 0.10% 0.332% 176 0.9 545 1048823 14559786 13973466 1-2 20: 73 147 133 220 235 148 146 59 72 86 74 89 75 160 103 100 149 131 134 236 0.996 7.99 -2.9 99 97 97 99 235 110.8 4.134 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1026 Cadaverine NC 8.1199 1151.9 3.2 scans 36% 174 m/z 8.4% 0.00216% 193 1.7 40 12490 95020 95020 0-0 5: 174 175 142 216 86 0.947 7.74 22.7 80 81 71 85 216 10.5 6.817 0.384 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1188 Contamination 8.3050 1162.9 4.2 scans 30% 281 m/z 6.2% 0.00520% 211 2.2 54 16794 228368 213775 1-1 7: 281 369 282 370 283 207 371 0.622 8.41 -6.5 83 84 54 88 369 19.6 12.978 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1186 Phosphate 8.4766 1173.1 2.3 scans 95% 241 m/z 0.14% 0.105% 227 1.2 334 750936 4615349 4400582 1-1 20: 241 242 133 211 73 256 163 243 135 195 98 59 89 137 119 147 181 257 121 134 0.998 8.56 -4.9 100 99 99 100 299 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN VEN77_S6-N1002 Glycerol 10.0296 1264.3 5.9 scans 97% TIC 0.011% 4.22% 375 0.2 1351 8922732 185398020 184773958 1-0 0.997 10.09 -3.7 97 96 91 98 299 714.5 28.088 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6483 1300.5 3.0 scans 60% 199 m/z 1.3% 0.0368% 434 0.9 167 77407 1614846 1543986 4-1 17: 199 75 117 145 132 200 129 131 118 76 81 201 61 116 155 72 119 0.931 10.73 -5.1 97 96 93 99 209 2.7 0.000 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9881 1321.0 2.7 scans 58% 184 m/z 4.9% 0.00615% 466 0.9 74 21220 269617 268298 0-1 12: 184 134 285 174 86 100 77 286 172 185 59 227 0.997 11.06 -4.5 92 93 84 93 285 24.2 10.638 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3606 1343.4 3.7 scans 86% TIC 0.46% 0.0755% 501 1.0 217 226287 0.0987% 3311182 3018105 4326769 1-0 0.985 11.45 -5.1 98 97 97 99 145 62.5 8.266 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN TAB_REP6-N1026 Malic acid 13.4450 1472.0 2.6 scans 90% 73 m/z 0.43% 0.0612% 699 1.2 241 242262 2684417 2594593 1-1 20: 73 147 233 245 133 148 189 190 75 175 101 74 191 149 234 55 335 265 217 235 0.998 13.53 -5.6 97 96 95 96 335 28.2 1.369 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6540 1550.7 >3 scans 79% TIC 1.4% 0.00914% 814 1.4 104 73773 0.104% 400806 400806 4559108 0-0 0.990 14.16 32.4 85 84 89 95 250 19.6 3.551 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1044 Dodecanol 14.7098 1554.4 2.8 scans 92% TIC 0.42% 0.0577% 820 0.8 216 246430 0.121% 2533195 2528044 5304347 0-1 0.998 14.24 31.0 97 99 98 99 243 118.7 30.115 0.468 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1755 1654.1 3.0 scans 85% 290 m/z 0.33% 0.0722% 959 2.0 221 314182 3167681 2813387 1-6 18: 290 73 291 292 392 158 144 131 117 74 115 59 393 293 100 200 172 130 0.989 16.28 -7.0 94 90 86 99 392 30.1 1.852 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5301 1678.7 2.8 scans 93% 55 m/z 0.29% 0.147% 993 1.0 333 357190 0.162% 6444499 5470569 7101688 9-4 20: 55 69 73 83 70 97 56 57 84 111 82 113 127 98 68 71 140 96 67 112 0.998 16.63 -6.7 99 98 99 98 210 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1010 Glycerol-P 17.4771 1746.7 3.2 scans 98% 357 m/z 0.027% 2.43% 1083 0.4 1338 3878622 106853988 103520002 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 387 101 256 103 133 129 328 218 0.999 16.97 37.2 96 99 98 99 445 216.0 2.607 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN TAB_REP6-N1048 Citric acid 18.2273 1801.5 2.8 scans 37% 273 m/z 3.2% 0.00915% 1154 1.1 90 32816 401243 399211 2-0 14: 273 363 274 347 375 465 275 156 348 364 257 183 466 376 0.771 18.24 -1.3 91 93 64 94 465 14.8 2.706 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4177 1816.1 4.2 scans 94% TIC 0.028% 2.71% 1172 0.5 1242 3669113 118962318 109095489 1-3 0.983 17.91 37.9 96 99 98 99 327 119.2 0.922 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1012 Phytol 18.5534 1826.4 3.1 scans 97% 68 m/z 0.060% 1.39% 1185 0.6 1041 1756663 1.67% 61288923 60291980 73208757 3-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 79 56 70 53 1.000 18.04 38.3 94 98 99 99 278 63.1 0.368 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1016 Hexadecene 18.6166 1831.2 3.0 scans 87% TIC 0.20% 0.249% 1191 1.4 441 521865 4.05% 10947687 10777150 177542196 0-2 0.995 18.10 38.8 84 84 92 97 280 65.0 2.168 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6387 1832.9 2.7 scans 57% 285 m/z 0.76% 0.0517% 1193 1.0 218 138471 0.586% 2269050 2038786 25688821 2-2 20: 285 117 73 75 132 129 145 286 131 118 287 300 74 116 201 241 133 130 61 257 0.993 18.73 -6.8 97 96 84 96 300 21.4 0.963 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1002 Phytol 18.8min 18.8428 1848.5 2.8 scans 94% 81 m/z 0.33% 0.245% 1212 1.0 449 316583 10769789 10035887 1-4 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 124 109 53 110 111 278 0.998 18.84 0.2 98 97 99 98 278 52.8 1.382 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0901 1867.4 2.9 scans 96% 81 m/z 0.16% 0.491% 1236 0.8 645 649039 21553210 20950025 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 109 96 124 278 111 53 56 0.999 18.58 39.0 92 95 98 99 278 89.0 1.908 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN BRA4_R~2-N1004 Galactose 19.2511 1879.6 2.6 scans 18% 319 m/z 9.8% 0.00284% 1251 1.1 52 10714 124813 124813 0-0 3: 319 160 320 0.718 19.36 -8.5 82 85 53 84 364 0.0 0.000 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1068 Galactopyranose 19.3268 1885.4 2.8 scans 60% 204 m/z 1.5% 0.0228% 1258 1.4 129 66178 0.0333% 1001486 857341 1459791 1-15 8: 204 191 205 206 192 243 305 235 0.878 19.32 0.9 83 81 83 86 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9066 1931.2 3.1 scans 88% TIC 0.25% 0.147% 1313 1.3 295 422667 0.180% 6469813 5752495 7890764 1-1 0.990 19.91 -0.5 96 93 94 99 361 13.4 0.206 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7852 2001.9 3.0 scans 94% TIC 0.14% 0.655% 1397 0.8 731 735300 0.678% 28732607 26671598 29721879 1-6 1.000 20.27 41.7 82 82 94 97 322 51.4 0.495 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1038 C16:0 21.1524 2032.8 3.5 scans 98% 313 m/z 0.024% 2.71% 1432 0.4 1356 4327308 118966817 118924013 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 69 133 74 201 315 116 269 1.000 20.62 44.5 94 99 99 100 328 156.5 1.333 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1042 myo-Inositol 21.6501 2074.6 2.8 scans 20% 305 m/z (73) 6.8% 0.00613% 1479 1.1 73 15549 268991 268991 0-1 8: 305 318 306 265 319 307 219 433 0.855 21.77 -10.5 82 84 67 90 318 21.3 8.584 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6501 2074.6 2.8 scans 20% 305 m/z 6.9% 0.00633% 1479 1.1 74 15166 277877 277877 0-1 8: 305 318 306 265 319 307 219 433 0.961 21.75 -8.3 81 82 66 84 507 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9510 2099.9 3.1 scans 54% 327 m/z 1.9% 0.0273% 1508 1.2 147 54577 1199429 1145963 1-2 13: 327 117 132 328 145 342 329 201 118 146 283 299 343 0.959 22.33 -33.1 94 97 90 97 342 19.6 1.791 -0.379 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1699 2119.0 3.5 scans 24% 396 m/z 4.6% 0.00843% 1529 1.4 75 22602 0.0125% 369790 351178 547970 1-0 10: 396 219 397 381 398 307 220 382 249 191 0.787 22.19 -1.5 89 90 70 91 396 36.0 22.791 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1040 Phytol 22.6170 2158.1 3.3 scans 95% 143 m/z 0.026% 0.866% 1571 0.9 792 4062227 38002366 36591460 2-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 103 97 83 82 67 74 96 0.998 22.08 46.6 80 82 90 97 181 12.1 0.023 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2021 2209.6 7.7 scans 92% 79 m/z 0.034% 7.19% 1627 0.2 1575 3041138 8.02% 315488338 310605373 351577386 0-1 20: 79 75 73 95 93 108 67 335 80 81 91 107 94 121 129 149 135 55 77 122 0.998 23.12 7.8 95 94 98 94 350 116.0 0.543 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1036 C18:0 23.4062 2228.3 2.7 scans 90% 341 m/z 0.086% 0.585% 1646 0.8 726 1222908 25663700 24320013 1-4 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 74 201 297 130 0.999 22.89 46.5 93 98 98 99 356 94.3 1.688 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7103 2256.1 2.9 scans 33% 163 m/z 0.54% 0.0386% 1675 1.1 180 193259 1694316 1640775 3-4 8: 163 331 164 165 332 88 90 166 0.822 23.72 -0.8 93 94 82 96 331 40.8 5.124 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1396 2295.3 3.2 scans 30% 204 m/z 0.64% 0.0328% 1716 0.8 158 165189 0.0410% 1441157 1323655 1797341 0-9 14: 204 205 217 337 147 103 206 338 218 219 191 339 243 203 0.650 24.18 -3.8 90 93 71 92 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1018 myo-Inositol 25.2075 2396.6 4.5 scans 60% TIC 0.85% 0.0841% 1817 1.3 227 123767 0.161% 3688053 3688053 7057850 0-0 0.923 25.21 -0.2 97 97 93 99 470 15.4 0.459 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6200 2437.3 3.5 scans 41% 91 m/z 0.68% 0.0317% 1856 1.5 145 153794 0.0406% 1390665 1277905 1779806 4-2 15: 91 117 194 207 208 92 115 312 65 193 104 51 118 63 178 0.952 25.61 1.0 97 97 92 97 312 18.6 1.634 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5533 2531.0 4.3 scans 58% TIC 0.36% 0.103% 1945 1.6 320 290070 0.445% 4557627 4557627 19507723 0-0 0.962 26.57 -2.1 98 97 90 98 512 100.0 9.784 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9289 2569.8 2.6 scans 89% 371 m/z 0.039% 0.815% 1981 0.7 873 2693410 35753448 34123035 1-3 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 133 0.999 26.39 55.2 89 96 97 100 459 110.7 1.612 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1014 Sucrose 27.4119 2620.4 2.8 scans 27% 361 m/z 0.67% 0.0392% 2027 1.1 188 156256 1720337 1716665 0-1 11: 361 362 437 363 451 438 271 439 364 452 453 0.842 27.49 -8.3 97 97 80 97 437 40.3 4.620 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN LQC1-N1010 Sucrose 27.4193 2621.2 4.7 scans 23% TIC 0.94% 0.0246% 2027 1.7 174 111416 0.125% 1081425 1045571 5479697 1-0 0.573 27.58 -17.0 84 95 66 95 437 36.2 4.311 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.5950 2639.9 3.2 scans 25% 99 m/z 0.84% 0.0464% 2044 1.1 205 124694 0.116% 2034285 2005541 5085159 0-1 14: 99 71 189 173 270 269 287 100 296 368 544 273 288 240 0.762 27.60 -0.7 81 76 79 96 368 16.1 0.618 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1030 C18:0-2-glycerol 28.6672 2757.3 3.0 scans 34% 189 m/z 1.0% 0.0311% 2146 1.2 176 97518 0.118% 1364417 1232425 5172834 5-0 14: 189 341 145 117 457 188 103 342 458 190 248 158 355 343 0.939 28.67 -0.0 80 80 66 83 457 22.6 1.639 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7250 2763.8 3.0 scans 88% 399 m/z 0.075% 0.518% 2152 0.8 638 1408260 22722205 21945052 5-0 19: 399 400 73 147 129 57 205 203 103 487 401 55 71 116 145 75 267 101 117 0.998 28.19 59.9 89 98 97 100 487 81.3 1.627 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1034 Nonacosane 29.5110 2852.2 2.9 scans 79% 57 m/z 0.14% 0.247% 2226 0.9 457 705690 10860734 10375916 4-0 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 141 84 393 155 366 98 0.998 29.50 0.7 93 90 97 98 408 16.5 0.130 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8414 2889.4 2.9 scans 83% 57 m/z 0.083% 0.486% 2258 0.7 616 1272664 21328938 19933949 1-17 19: 57 71 85 55 99 69 83 113 56 70 127 84 111 141 98 155 112 126 58 0.997 29.83 1.7 93 90 98 99 408 40.8 0.440 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4738 2963.9 2.9 scans 81% 57 m/z 0.090% 0.441% 2318 0.7 588 1166113 0.446% 19355658 17514436 19551560 5-5 20: 57 71 85 56 393 55 69 83 99 70 97 113 392 394 127 111 141 84 155 58 0.998 30.46 1.3 98 96 99 100 393 141.2 5.779 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2072 3051.0 3.4 scans 65% 57 m/z 0.23% 0.202% 2387 1.0 368 455613 0.226% 8859529 7013080 9907293 26-3 19: 57 71 85 55 99 56 69 393 83 113 70 127 111 141 84 394 58 392 98 0.990 31.21 -0.5 98 98 99 99 393 56.6 2.365 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1048 Hentriacontane 31.5281 3089.1 3.3 scans 83% 57 m/z 0.057% 0.734% 2418 0.6 750 1825853 32181879 31595502 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 126 58 0.999 31.53 -0.4 99 98 100 98 436 44.4 0.350 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6849 3107.7 7.0 scans 19% 204 m/z (429) 1.0% 0.0324% 2433 1.0 144 101543 0.268% 1420971 1398517 11748471 0-2 10: 204 597 205 337 598 129 206 191 599 338 0.846 31.68 1.1 83 86 78 89 597 18.2 1.596 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8248 3124.3 2.9 scans 85% 502 m/z 0.041% 0.737% 2446 0.7 777 2539093 32319156 30671119 1-1 17: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 55 505 193 0.997 31.79 3.9 100 99 99 100 502 381.1 24.142 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9458 3138.7 3.5 scans 67% TIC 0.42% 0.267% 2458 0.6 476 250599 11731800 10632102 1-0 0.971 31.87 9.3 94 93 94 97 458 68.8 2.090 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1078 3157.9 3.1 scans 28% 57 m/z 0.39% 0.0696% 2473 1.1 268 266761 0.169% 3051504 3018198 7408551 0-1 15: 57 71 56 85 421 99 70 420 113 422 127 141 84 393 58 0.946 32.11 -0.3 94 94 93 98 421 61.6 5.267 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1004 Campesterol 32.7865 3238.5 3.6 scans 48% 343 m/z 0.35% 0.344% 2538 0.7 490 298433 15107771 14185733 0-2 14: 343 129 382 472 367 344 107 121 342 383 119 105 145 255 0.932 32.21 68.4 83 95 87 96 472 77.9 2.524 0.577 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1046 Stigmasterol 32.9896 3262.7 3.2 scans 52% 129 m/z (83) 0.16% 0.997% 2557 0.7 845 656352 43723157 41667162 1-0 20: 129 73 55 255 394 484 81 69 75 159 133 119 145 97 351 105 355 107 93 147 0.945 32.98 0.9 93 95 85 96 665 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1116 3277.2 >3 scans 47% TIC 0.16% 0.152% 2568 0.9 466 645915 2.72% 6681662 6681662 119238216 0-0 0.990 33.10 1.8 80 76 90 90 515 25.4 0.299 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3526 3305.8 3.0 scans 13% 437 m/z (495) 0.68% 0.156% 2591 1.2 331 154333 6880311 6451454 4-0 7: 437 529 438 530 439 531 450 0.656 33.38 -3.1 80 84 68 91 529 45.7 1.904 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN WTF2-N1034 b-Sitosterol 33.4810 3321.0 5.5 scans 65% 471 m/z 0.15% 0.945% 2604 1.3 796 688739 2.82% 41432521 41432521 123621974 0-0 8: 471 99 472 473 208 439 300 440 0.750 32.88 71.7 81 95 82 98 486 113.3 2.027 0.604 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5957 3334.6 3.3 scans 21% 386 m/z 0.90% 0.141% 2614 0.9 317 117150 6217970 5476251 1-5 7: 386 296 281 387 371 379 394 0.851 33.58 1.3 83 85 72 89 505 29.4 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8955 3370.3 3.3 scans 5.3% 441 m/z (99) 0.94% 0.0243% 2643 1.0 127 111597 1067796 939457 8-2 4: 441 442 646 308 0.699 33.80 11.9 88 93 71 94 646 23.4 3.414 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N444_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5900 3452.7 3.6 scans 5.5% 596 m/z 0.32% 0.0748% 2709 0.8 222 326472 3282483 3164482 1-1 12: 596 597 598 599 600 304 524 594 440 412 595 580 0.384 34.47 14.0 94 97 71 98 596 136.7 37.912 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 4.2 scans 28% 207 m/z 3.8% 0.0113% 27 2.3 69 25915 268573 230241 1-4 7: 207 295 208 71 209 296 297 0.854 6.63 -15.1 86 87 53 87 295 25.3 13.474 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1192 Contamination 7.9798 1143.6 2.5 scans 98% 73 m/z 0.081% 0.669% 180 0.7 693 1226314 15867827 15489510 3-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 75 160 100 103 149 131 134 221 0.998 7.99 -0.6 99 97 97 98 235 138.1 3.974 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1186 Phosphate 8.5143 1175.3 2.3 scans 97% 241 m/z 0.032% 0.855% 231 0.8 841 3119260 20277674 19164998 1-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 75 137 134 121 257 1.000 8.56 -2.7 100 99 99 100 299 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1180 Benzoic acid 9.6717 1243.3 3.4 scans 69% 179 m/z 6.9% 0.00922% 341 0.5 67 14468 0.00978% 218657 201133 231703 1-2 7: 179 105 135 77 180 51 194 0.815 9.76 -5.2 90 91 73 91 194 9.7 2.094 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN VEN77_S6-N1002 Glycerol 10.0379 1264.8 4.7 scans 97% 299 m/z 0.017% 3.49% 376 0.4 1221 5661337 82814274 82323209 0-1 20: 299 73 300 314 301 147 133 205 283 207 315 211 193 117 191 103 316 74 135 75 1.000 10.09 -3.2 98 96 90 99 299 689.3 32.029 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6639 1301.4 3.1 scans 80% 199 m/z 1.2% 0.0657% 435 0.8 203 78107 1557725 1550445 2-0 19: 199 75 117 73 145 132 129 200 131 74 118 67 61 81 76 201 116 72 155 0.881 10.73 -4.2 98 96 95 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9965 1321.5 2.6 scans 74% 184 m/z 3.8% 0.0157% 467 0.9 105 25713 372490 344714 4-1 18: 184 134 285 174 77 100 86 59 227 172 286 135 186 130 74 110 175 178 0.994 11.06 -4.0 96 96 90 96 285 33.2 9.941 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3742 1344.2 4.0 scans 72% 57 m/z 0.54% 0.110% 503 0.7 232 184057 2618693 2548556 3-1 19: 57 97 115 145 127 55 69 129 56 59 111 128 109 58 72 83 87 98 146 0.892 11.45 -4.3 98 97 96 99 145 65.6 8.030 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3858 1344.9 2.9 scans 32% 84 m/z (57) 1.3% 0.0253% 504 1.1 130 73883 0.0401% 600388 600388 950032 0-0 18: 84 133 161 162 119 92 118 78 51 65 174 134 63 207 50 105 52 117 0.971 10.96 25.9 86 87 87 96 161 33.8 6.786 0.430 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1146 Malic acid 13.4554 1472.7 2.5 scans 97% 73 m/z 0.14% 0.292% 700 1.0 465 686460 6932351 6804495 0-1 20: 73 147 233 245 133 148 75 189 190 74 175 55 149 191 101 234 335 59 217 131 1.000 13.62 -10.1 99 98 97 98 350 10.5 0.051 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2635 1524.8 2.5 scans 57% 263 m/z 1.1% 0.0223% 777 1.1 131 85909 529577 520940 0-1 11: 263 264 278 265 239 279 175 342 447 247 207 0.959 14.33 -4.2 93 91 86 96 278 32.7 6.292 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1044 Dodecanol 14.7160 1554.8 2.6 scans 72% 243 m/z 2.2% 0.0176% 820 0.9 115 44594 0.0179% 417501 417501 424079 0-0 15: 243 244 103 97 89 83 61 245 101 111 76 59 115 74 67 0.978 14.24 31.4 94 96 89 97 243 61.2 28.239 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1827 1654.6 2.9 scans 61% 290 m/z 1.6% 0.0232% 960 1.7 112 62284 551582 489746 1-3 9: 290 291 292 392 158 144 131 115 100 0.872 16.28 -6.5 93 92 81 97 392 16.4 2.148 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5300 1678.7 2.9 scans 61% 55 m/z 4.4% 0.0122% 992 1.0 91 22465 0.0246% 289333 239252 582812 4-0 18: 55 83 56 97 69 70 84 82 68 111 127 98 113 54 140 67 96 112 0.994 16.63 -6.7 86 87 87 87 210 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1010 Glycerol-P 17.4611 1745.6 2.5 scans 97% 357 m/z 0.063% 1.43% 1081 0.8 1052 1568063 34003091 33157779 1-1 20: 357 299 73 147 358 315 300 370 445 211 103 101 359 133 301 129 256 387 218 131 0.999 16.97 36.1 96 99 99 100 445 161.4 2.354 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1086 Fructofuranose 18.0504 1788.6 2.7 scans 87% 73 m/z 0.53% 0.0910% 1137 1.3 258 185359 2157548 2092243 1-1 19: 73 217 437 147 218 438 219 74 439 257 103 191 133 129 148 230 205 189 215 0.993 18.13 -6.0 91 89 89 92 437 63.3 6.015 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4155 1815.9 3.9 scans 91% 73 m/z (310) 0.033% 4.01% 1172 0.5 1384 2992673 95110506 90057972 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 58 78 327 133 66 90 77 121 0.999 17.91 37.7 93 99 98 99 327 130.3 0.887 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1012 Phytol 18.5460 1825.9 3.0 scans 97% 68 m/z 0.092% 1.49% 1184 0.7 975 1079508 35326945 34012290 1-1 20: 68 95 82 57 69 55 123 67 81 83 71 97 96 109 124 111 56 79 70 53 0.999 18.04 37.8 95 98 99 99 278 54.3 0.310 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1016 Hexadecene 18.6123 1830.9 3.2 scans 89% TIC 0.51% 0.194% 1190 1.7 326 195333 5.44% 4597249 4402218 128882086 0-4 0.999 18.10 38.5 84 83 93 97 280 44.9 1.894 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6396 1833.0 2.6 scans 56% 285 m/z 2.0% 0.0336% 1193 1.0 160 48157 796525 747807 3-1 15: 285 117 132 129 145 286 118 287 300 116 201 76 61 130 257 1.000 18.73 -6.7 95 94 82 94 300 16.3 1.043 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1002 Phytol 18.8min 18.8427 1848.5 2.7 scans 93% 81 m/z 0.60% 0.234% 1212 1.1 396 166628 5550683 5232331 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 111 0.999 18.84 0.2 98 97 99 97 278 43.7 1.218 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1072 Fructose 18.9374 1855.7 2.7 scans 90% 73 m/z 0.33% 0.162% 1221 1.2 342 299269 3861476 3808673 1-0 20: 73 103 307 217 147 308 218 277 133 74 104 309 205 189 117 89 364 148 219 75 0.995 19.03 -7.3 94 93 94 93 364 30.8 0.811 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0889 1867.3 2.8 scans 94% 81 m/z 0.28% 0.482% 1236 0.8 570 355153 11437645 11087805 1-1 20: 81 68 82 95 57 123 69 55 83 79 67 71 97 96 109 124 53 111 56 278 0.999 18.58 38.9 93 96 98 99 278 72.0 1.598 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1068 Galactopyranose 19.2078 1876.3 2.6 scans 89% 204 m/z 0.27% 0.146% 1247 1.4 332 364467 0.222% 3476150 3398483 5259526 1-0 19: 204 73 191 147 205 217 206 192 129 218 103 74 193 189 133 117 148 219 231 0.998 19.32 -8.2 95 94 94 95 435 19.2 0.333 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN BRA4_R~2-N1004 Galactose 19.2593 1880.3 2.7 scans 84% 73 m/z 0.52% 0.117% 1252 1.0 286 191020 0.311% 2780408 2665432 7368075 0-1 20: 73 319 205 147 160 320 217 103 321 206 74 117 133 229 148 161 207 157 189 89 0.993 19.36 -7.8 95 93 93 96 364 17.4 0.370 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9012 1930.8 2.7 scans 27% 299 m/z (204) 6.6% 0.0138% 1313 1.1 98 15123 0.0148% 329010 314263 350635 1-0 6: 299 132 145 300 231 130 0.842 19.97 -5.8 81 82 62 96 314 8.3 0.711 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9086 1931.4 2.7 scans 50% 204 m/z 1.5% 0.0235% 1314 1.1 123 63190 0.0312% 556941 512507 739177 4-6 7: 204 217 159 206 218 191 160 0.839 19.91 -0.3 88 87 68 89 361 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2716 1960.6 2.6 scans 91% 204 m/z 0.17% 0.254% 1348 1.2 434 581215 6030636 5818990 1-3 20: 204 73 191 147 205 217 206 192 129 74 218 189 193 103 133 148 75 117 219 149 0.995 20.41 -11.4 98 97 97 97 217 95.5 4.829 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7756 2001.1 2.7 scans 94% TIC 0.37% 0.380% 1396 1.0 521 266102 0.382% 9017697 8469445 9050176 1-4 1.000 20.27 40.9 85 86 95 98 322 33.1 0.405 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1038 C16:0 21.1407 2031.8 2.8 scans 98% 313 m/z 0.037% 2.63% 1431 0.5 1310 2637283 62336922 62311630 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 269 1.000 20.62 43.5 94 99 99 100 328 142.4 1.182 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6563 2075.1 2.8 scans 80% 217 m/z 1.0% 0.0964% 1480 1.1 255 97991 2285514 2214416 1-1 17: 217 305 147 318 191 306 265 319 218 204 307 219 320 432 192 148 291 0.998 21.75 -7.8 96 95 93 95 507 15.7 0.378 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9519 2100.0 2.8 scans 84% TIC 0.89% 0.109% 1508 1.0 281 111254 0.169% 2595004 2411983 4003874 2-1 0.992 22.33 -33.0 96 98 98 99 342 34.3 1.486 -0.378 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1040 Phytol 22.6127 2157.7 2.9 scans 93% TIC 0.076% 0.434% 1571 1.0 544 1308616 0.472% 10304121 10170884 11182416 1-2 1.000 22.08 46.2 81 82 90 96 181 0.0 0.000 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1042 C18:2 23.0325 2194.4 5.5 scans 88% 73 m/z (342) 0.13% 1.64% 1611 1.9 745 721248 5.52% 39073735 37524829 130777411 4-0 20: 73 74 239 229 213 192 218 169 153 103 197 267 205 182 208 154 141 209 254 309 0.982 22.53 43.6 88 95 96 99 352 40.0 0.288 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1599 2205.7 4.5 scans 95% 75 m/z 0.046% 5.93% 1623 0.3 1593 2164288 6.88% 140691758 134653749 162997933 0-2 20: 75 79 73 95 67 93 108 335 80 81 91 129 107 55 94 117 121 149 135 77 0.994 23.12 3.9 99 99 99 98 350 111.8 0.493 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1036 C18:0 23.3966 2227.4 2.7 scans 91% 341 m/z 0.16% 0.575% 1645 0.9 648 617159 13630191 12887930 1-4 20: 341 117 73 75 132 129 145 342 55 57 356 133 131 118 69 74 343 201 83 116 0.999 22.89 45.6 94 99 99 99 356 80.7 1.552 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1018 myo-Inositol 25.2137 2397.2 3.2 scans 67% TIC 0.63% 0.153% 1818 1.0 312 156495 0.173% 3628764 3337513 4098640 1-1 0.983 25.21 0.4 98 97 96 99 470 20.9 0.449 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6136 2436.7 3.2 scans 49% 91 m/z 0.39% 0.0928% 1856 1.3 231 255471 0.103% 2200433 2035031 2440231 5-5 19: 91 117 194 207 92 208 115 65 193 312 104 118 51 116 102 78 128 179 195 0.962 25.61 0.4 99 99 97 99 312 26.5 1.316 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2943 2504.3 3.3 scans 15% 204 m/z 2.1% 0.0198% 1921 1.2 107 46090 0.0205% 470808 365539 485677 15-0 6: 204 217 205 219 206 305 0.902 25.86 43.6 87 96 84 94 361 5.6 0.000 0.438 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5553 2531.2 2.8 scans 24% 512 m/z 1.5% 0.0435% 1945 1.1 172 65109 1032910 1032910 0-0 16: 512 455 247 513 456 248 483 514 263 349 457 497 235 423 249 484 0.916 26.57 -1.9 93 94 76 94 512 60.8 12.550 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9288 2569.8 2.6 scans 87% 371 m/z 0.057% 1.03% 1981 0.8 873 1725270 24616322 23944480 1-0 20: 371 73 372 147 129 57 205 203 239 103 55 373 71 459 116 75 145 117 101 85 1.000 26.39 55.2 90 98 98 100 459 104.7 1.440 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1008 Sucrose 27.4170 2620.9 2.8 scans 59% 361 m/z 0.26% 0.260% 2027 1.1 428 381856 0.282% 6161608 5870555 6681020 1-12 18: 361 217 362 437 147 363 103 271 218 451 169 438 243 319 191 439 219 364 0.933 27.59 -18.6 99 98 93 98 437 74.1 2.995 -0.174 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN LQC1-N1010 Sucrose 27.4191 2621.1 3.3 scans 58% TIC 0.27% 0.219% 2027 1.6 425 358809 0.817% 5193376 5095340 19356004 2-0 0.893 27.58 -17.1 99 98 94 99 437 72.0 2.871 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7260 2763.9 2.8 scans 64% 399 m/z 0.098% 0.702% 2152 0.9 701 1011907 16639910 16272062 1-1 15: 399 400 147 129 57 205 203 487 401 71 116 101 85 267 117 0.999 28.19 60.0 88 97 96 100 487 83.3 1.410 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8276 2887.8 2.9 scans 32% 57 m/z 1.4% 0.0296% 2256 1.5 154 68615 0.0357% 701940 670283 845789 1-0 14: 57 71 85 99 113 70 56 140 84 127 86 72 168 112 0.983 29.83 0.1 82 82 94 82 408 8.2 0.281 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1038 Hexacosanol 30.1748 2928.4 2.8 scans 11% 439 m/z 3.9% 0.00894% 2289 0.9 78 25263 211971 211971 0-1 3: 439 440 441 0.842 30.17 0.3 96 98 76 98 439 46.0 35.281 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4116 2956.5 3.4 scans 54% 73 m/z 0.84% 0.112% 2312 0.8 274 118997 2663055 2515899 5-1 18: 73 427 147 194 103 205 411 206 428 74 133 148 145 143 412 195 189 307 0.909 30.36 6.4 87 87 88 88 529 10.6 0.149 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4589 2962.1 2.9 scans 42% 57 m/z 0.96% 0.0547% 2316 1.0 191 103359 0.0611% 1297870 1171536 1447554 3-3 14: 57 71 56 85 393 99 83 70 392 97 113 365 84 58 0.990 30.46 -0.5 94 94 96 94 393 41.3 4.668 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2071 3051.0 3.0 scans 71% 57 m/z 0.27% 0.218% 2387 1.0 385 363557 5184338 5020674 2-1 20: 57 71 85 55 99 56 69 83 97 393 113 70 127 111 84 141 58 394 155 98 0.988 31.21 -0.5 97 97 99 98 393 53.7 1.942 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1048 Hentriacontane 31.5090 3086.8 2.9 scans 62% 57 m/z 0.34% 0.164% 2416 1.0 343 292556 3898833 3758183 2-4 19: 57 71 85 55 99 83 97 56 113 70 127 111 84 141 98 86 58 72 155 0.987 31.53 -2.7 92 89 98 96 436 17.6 0.262 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8110 3122.7 2.9 scans 77% 502 m/z 0.11% 0.476% 2445 0.8 566 902950 11291333 10888077 1-1 15: 502 237 73 503 236 238 504 277 221 74 208 223 239 505 467 0.985 31.79 2.3 99 98 94 99 502 275.3 23.677 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9436 3138.4 3.0 scans 84% 129 m/z 0.29% 0.688% 2457 0.7 662 338576 16313654 15855662 1-0 19: 129 329 368 353 458 95 75 107 119 121 330 105 145 81 57 328 55 369 91 0.997 31.87 9.0 96 95 95 98 458 92.9 1.969 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1067 3157.8 2.9 scans 58% 57 m/z (443) 0.22% 0.280% 2473 1.0 424 440824 0.383% 6642882 6390546 9073867 2-3 20: 57 71 85 56 421 55 83 69 97 99 70 422 420 113 127 111 84 58 141 125 0.980 32.11 -0.4 95 97 98 99 421 89.7 4.491 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.6433 3221.5 3.1 scans 22% 85 m/z 1.4% 0.0411% 2524 1.1 176 67398 975731 848886 1-2 13: 85 457 57 361 458 169 362 229 86 355 230 451 356 0.909 32.71 -8.4 92 93 84 93 457 50.2 8.106 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1046 Stigmasterol 32.9737 3260.8 3.2 scans 75% 83 m/z 0.26% 0.708% 2555 0.9 661 381476 0.763% 16785968 16241880 18076660 1-0 19: 83 129 55 255 69 394 484 81 75 133 105 119 159 107 145 95 93 97 351 0.979 32.98 -1.0 91 89 93 96 665 29.9 0.000 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0968 3275.4 3.0 scans 74% 57 m/z 0.094% 0.681% 2567 0.8 679 1056045 0.995% 16152070 15153741 23573102 0-10 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 112 155 58 82 0.988 33.10 -0.0 90 88 98 94 515 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN WTF2-N1034 b-Sitosterol 33.4619 3318.8 3.4 scans 35% 357 m/z 0.93% 0.262% 2602 0.9 359 106524 0.278% 6214612 5124293 6586254 15-13 7: 357 396 486 381 358 356 487 0.964 32.88 69.5 82 95 92 96 486 51.1 2.025 0.585 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8859 3369.1 3.2 scans 1.8% 441 m/z 6.4% 0.00416% 2642 0.9 50 15553 98781 98781 0-0 5: 441 442 308 509 443 0.737 33.80 10.7 85 89 55 89 646 10.2 4.190 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5772 3451.2 3.8 scans 23% 596 m/z 0.72% 0.0854% 2708 0.9 206 138877 2023282 1977779 1-1 14: 596 597 316 599 318 315 356 303 300 370 301 330 280 304 0.921 34.47 12.5 97 96 83 98 596 108.0 27.501 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 2.8 scans 69% TIC 0.91% 0.0200% 27 1.6 153 108835 0.0700% 477099 477099 1668140 0-0 0.988 6.63 -15.0 96 95 79 96 295 47.1 9.482 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8525 1136.1 9.8 scans 36% 147 m/z 5.7% 0.00624% 168 0.7 58 17412 0.281% 148815 148815 6696389 0-0 3: 147 73 148 0.929 7.79 3.5 81 81 80 87 219 0.0 0.000 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1192 Contamination 8.0167 1145.8 2.7 scans 97% TIC 0.10% 0.649% 183 0.8 587 986463 15468624 14494430 6-0 0.998 7.99 1.6 98 97 97 98 235 118.2 4.049 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1026 Cadaverine NC 8.1293 1152.5 2.5 scans 44% 174 m/z 7.4% 0.00400% 194 1.1 52 13350 95526 95526 1-0 5: 174 216 142 175 86 0.964 7.74 23.3 90 91 83 92 216 12.4 5.648 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1188 Contamination 8.3113 1163.3 2.7 scans 73% 281 m/z 3.7% 0.0157% 211 2.2 91 26577 375576 352936 1-3 12: 281 147 369 282 283 370 207 265 148 249 371 149 0.927 8.41 -6.1 94 94 73 96 369 27.3 9.107 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1186 Phosphate 8.5417 1176.9 2.4 scans 98% 241 m/z 0.042% 0.676% 233 0.9 678 2352350 16113335 15928767 0-1 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 75 134 137 164 121 1.000 8.56 -1.1 100 99 99 100 299 0.0 0.000 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1180 Benzoic acid 9.6939 1244.6 3.3 scans 51% 179 m/z 8.6% 0.00523% 343 0.7 52 11608 0.00705% 124688 124688 168005 0-0 6: 179 105 135 51 194 180 0.950 9.76 -3.9 87 86 77 93 194 9.4 3.290 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN VEN77_S6-N1002 Glycerol 10.0558 1265.8 5.1 scans 97% TIC 0.016% 3.97% 377 0.3 1170 6203367 94791718 90960132 1-1 1.000 10.09 -2.2 98 97 92 99 299 670.5 33.013 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6798 1302.4 3.4 scans 58% 199 m/z (69) 1.4% 0.0665% 436 0.7 171 69115 0.0710% 1586799 1517372 1691970 6-1 19: 199 75 117 73 145 132 200 129 131 67 61 74 79 81 76 133 72 95 119 0.966 10.73 -3.2 92 93 87 97 209 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1168 Glyceric acid 10.9554 1319.0 2.6 scans 68% 73 m/z 4.4% 0.0113% 463 1.1 85 22246 0.0155% 269309 259280 369374 1-0 14: 73 147 292 189 103 205 133 190 293 102 117 307 59 74 0.947 11.05 -5.9 89 87 86 93 292 26.2 9.448 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0091 1322.2 2.7 scans 77% 184 m/z 2.5% 0.0238% 468 0.9 124 39732 0.0280% 568441 568441 667256 0-0 20: 184 134 285 73 174 77 86 100 59 286 185 227 172 135 186 60 175 130 287 178 0.986 11.06 -3.3 97 96 90 97 285 36.4 8.565 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1162 Fumaric acid 11.2848 1338.8 >2 scans 57% TIC 6.4% 0.00167% 494 1.0 53 15591 0.146% 39980 39980 3479263 0-0 0.975 11.39 -6.5 93 94 77 94 245 33.6 40.033 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3795 1344.5 4.7 scans 89% 57 m/z 0.57% 0.116% 503 0.7 209 172484 0.125% 2776385 2737332 2978821 3-0 19: 57 97 115 145 127 69 129 55 56 59 111 109 128 58 72 83 87 98 146 0.990 11.45 -4.0 98 96 96 99 145 60.2 8.298 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1146 Malic acid 13.4618 1473.1 2.4 scans 98% 73 m/z 0.073% 0.550% 701 1.0 620 1358396 13121621 13092696 1-0 20: 73 147 233 245 133 189 75 190 148 74 191 175 55 101 335 149 234 217 59 265 1.000 13.62 -9.7 100 99 98 99 350 15.4 0.062 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9532 1504.3 2.8 scans 21% 156 m/z 5.1% 0.00461% 748 1.1 52 19385 109849 109849 1-0 4: 156 157 258 230 0.814 14.11 -10.4 88 90 79 89 273 0.0 0.000 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2657 1525.0 2.7 scans 43% 263 m/z (71) 0.94% 0.0253% 777 1.0 123 106028 603861 603861 0-0 16: 263 264 278 265 447 175 279 240 207 448 247 131 129 128 191 119 0.989 14.33 -4.0 89 88 81 96 278 34.6 7.959 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1044 Dodecanol 14.7171 1554.9 2.6 scans 64% 243 m/z 1.7% 0.0228% 820 0.9 118 58304 544240 526793 1-1 13: 243 244 103 89 97 101 245 61 111 59 115 67 74 0.921 14.24 31.5 94 96 88 97 243 65.0 30.197 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1695 1584.9 3.6 scans 70% TIC 2.6% 0.0120% 863 0.8 102 37468 0.0645% 286802 286802 1537072 0-0 1.000 14.37 52.7 80 88 79 89 342 51.1 25.083 0.795 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1828 1654.6 3.0 scans 69% 290 m/z 1.3% 0.0320% 960 1.9 122 74065 763484 701241 1-3 7: 290 291 292 392 158 144 131 0.977 16.28 -6.5 91 88 78 98 392 16.9 1.932 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 3.0 scans 62% 55 m/z 3.2% 0.0139% 993 0.9 100 30922 0.0468% 332769 332769 1115271 0-0 18: 55 56 83 69 97 70 84 82 98 127 68 111 140 96 54 112 125 168 0.973 16.63 -6.6 86 86 84 86 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1010 Glycerol-P 17.4601 1745.5 2.5 scans 96% 357 m/z 0.077% 1.15% 1081 0.8 882 1287320 27585176 26796556 2-1 20: 357 299 73 147 358 315 300 445 370 211 103 101 359 133 301 129 256 387 218 131 0.993 16.97 36.0 96 99 99 100 445 137.5 2.433 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1086 Fructofuranose 18.0515 1788.6 2.6 scans 84% 217 m/z 0.54% 0.0904% 1137 1.3 241 184419 2154705 2108610 2-2 18: 217 73 437 147 218 438 219 439 74 257 191 103 230 133 148 189 205 303 0.982 18.13 -6.0 91 89 90 93 437 60.2 6.236 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4187 1816.1 4.1 scans 95% 73 m/z 0.029% 4.54% 1172 0.5 1346 3371741 108285597 103013040 1-1 20: 73 135 76 120 119 132 149 50 136 62 74 78 66 133 58 213 90 121 117 137 0.994 17.91 37.9 96 99 98 99 327 129.0 0.919 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1012 Phytol 18.5523 1826.3 3.0 scans 97% 68 m/z 0.081% 1.71% 1185 0.5 964 1221615 1.88% 40777470 39916637 44801466 1-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 70 85 0.999 18.04 38.2 94 98 99 99 278 55.4 0.329 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1016 Hexadecene 18.6154 1831.2 3.1 scans 89% TIC 0.40% 0.234% 1191 1.4 343 249537 6.18% 5600145 5281119 147272905 0-4 0.997 18.10 38.8 81 79 92 97 280 47.9 1.953 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6407 1833.1 2.7 scans 51% 285 m/z 1.7% 0.0398% 1193 1.0 156 56442 950775 877126 8-1 15: 285 117 132 129 145 286 118 201 300 61 287 130 116 257 241 1.000 18.73 -6.6 94 94 82 94 300 15.5 0.982 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1002 Phytol 18.8min 18.8448 1848.7 2.8 scans 94% 81 m/z 0.54% 0.267% 1213 1.1 389 185095 0.278% 6380224 6041087 6624898 1-4 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 278 56 110 0.999 18.84 0.4 100 99 100 100 278 43.5 1.253 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1072 Fructose 18.9395 1855.9 2.6 scans 95% 73 m/z 0.12% 0.478% 1222 1.0 536 788167 11400835 11261974 1-0 20: 73 103 307 217 147 308 218 133 277 74 205 309 104 189 117 364 89 148 219 75 0.998 19.03 -7.1 98 97 98 97 364 49.9 0.866 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1070 Fructose 19.0626 1865.3 >2 scans 85% TIC 0.16% 0.359% 1233 0.9 472 614632 1.40% 8571881 8128336 33362794 2-0 1.000 19.19 -10.0 94 93 95 94 554 20.3 0.184 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0910 1867.4 2.8 scans 93% 81 m/z 0.23% 0.547% 1236 0.8 575 417818 13045427 12615064 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 53 111 278 56 0.998 18.58 39.0 93 96 98 98 278 72.9 1.606 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1068 Galactopyranose 19.2089 1876.4 2.7 scans 86% 204 m/z 0.30% 0.125% 1247 1.0 292 332738 0.695% 2982520 2910479 16562244 1-0 20: 204 191 73 147 205 217 206 192 129 218 189 193 74 148 133 117 103 219 231 305 0.997 19.32 -8.1 95 94 94 95 435 16.6 0.324 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1064 Mannose 19.2604 1880.4 2.6 scans 92% 73 m/z 0.12% 0.518% 1252 0.9 574 814386 0.588% 12346992 11636724 14012374 0-1 20: 73 319 205 147 160 320 217 103 206 321 117 74 133 229 148 189 207 161 129 157 0.997 19.45 -14.8 98 97 97 97 319 207.1 13.026 -0.195 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN TAB_REP6-N1059 Glucose 19.5035 1898.9 3.1 scans 82% 73 m/z 0.59% 0.124% 1275 1.1 265 168250 0.208% 2967704 2668812 4956758 1-0 20: 73 205 147 103 71 321 206 57 85 133 74 148 117 69 89 207 161 99 157 218 0.985 19.55 -3.8 92 91 84 91 376 8.4 0.099 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN BRA4_R~2-N1004 Galactose 19.5046 1899.0 3.1 scans 82% TIC 0.59% 0.103% 1275 1.1 265 168673 0.256% 2464800 2464800 6100625 0-0 0.983 19.36 10.9 92 91 84 93 364 0.0 0.000 0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9075 1931.3 3.5 scans 76% TIC 0.71% 0.0654% 1314 0.7 200 140728 0.210% 1560116 1560116 5004419 0-0 1.000 19.91 -0.4 95 93 94 96 361 8.9 0.197 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2727 1960.7 2.6 scans 87% 204 m/z 0.19% 0.223% 1348 1.2 378 519131 5321176 5081259 1-2 19: 204 73 191 205 147 217 206 192 129 189 218 74 103 193 133 148 117 219 149 0.993 20.41 -11.3 98 97 96 97 217 84.2 4.974 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7819 2001.7 2.8 scans 95% TIC 0.25% 0.629% 1397 0.8 593 391358 0.726% 14991916 13894407 17300992 1-14 1.000 20.27 41.5 83 84 95 98 322 39.0 0.433 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1038 C16:0 21.1502 2032.6 3.3 scans 97% 313 m/z 0.031% 3.44% 1432 0.4 1297 3205823 82010653 78935098 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 201 69 315 269 74 285 1.000 20.62 44.3 94 99 99 100 328 148.0 1.303 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6584 2075.3 3.1 scans 87% TIC 0.35% 0.281% 1480 0.6 365 281308 0.499% 6698584 6545547 11891453 1-0 0.990 21.75 -7.6 98 97 95 97 507 23.2 0.403 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9541 2100.2 2.8 scans 85% 327 m/z 0.61% 0.159% 1508 1.1 308 163441 0.167% 3801847 3445861 3979705 12-2 17: 327 117 73 75 132 129 145 328 342 118 329 131 133 201 74 116 299 0.991 22.33 -32.8 96 98 97 99 342 37.8 1.507 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1719 2119.2 2.8 scans 44% 396 m/z 3.0% 0.0187% 1529 1.1 104 32299 0.0227% 445842 398721 540954 1-0 14: 396 219 397 381 398 220 307 191 382 293 249 221 115 383 0.950 22.19 -1.3 93 93 78 93 396 48.4 21.823 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1040 Phytol 22.6159 2158.0 3.0 scans 94% 143 m/z 0.052% 0.654% 1571 0.9 606 1910579 15591428 15057275 4-2 19: 143 73 75 144 123 81 57 55 145 124 69 95 103 97 83 82 67 74 68 0.999 22.08 46.5 80 82 90 96 181 9.4 0.024 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1042 C18:2 23.0431 2195.3 >6 scans 84% 73 m/z (342) 0.10% 1.96% 1612 1.7 774 940585 7.55% 46831428 45355471 179920782 3-0 20: 73 133 74 132 239 126 229 213 156 143 193 192 169 153 218 281 195 226 182 197 0.986 22.53 44.5 88 95 97 99 352 44.0 0.324 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1799 2207.6 5.8 scans 94% 75 m/z 0.041% 8.82% 1625 0.2 1575 2386466 9.90% 210363256 198661728 235922615 0-9 20: 75 79 73 95 335 93 108 67 129 91 81 80 107 55 94 121 117 149 135 77 0.994 23.12 5.8 98 97 98 97 350 115.4 0.537 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1036 C18:0 23.4040 2228.1 2.6 scans 93% 341 m/z 0.11% 0.805% 1646 0.7 715 877837 19186087 18587539 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 116 297 1.000 22.89 46.3 93 99 99 99 356 89.4 1.565 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1426 2295.6 3.3 scans 28% 204 m/z (73) 1.3% 0.0266% 1716 0.9 113 75542 0.0313% 635411 596060 745897 1-5 15: 204 205 337 217 147 103 206 219 338 218 361 191 101 339 203 0.965 24.01 12.1 82 84 66 85 490 0.0 0.000 0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1426 2295.6 3.3 scans 27% 204 m/z (73 98) 1.3% 0.0261% 1716 0.9 112 74998 0.0308% 624118 585467 733981 1-5 15: 204 205 337 217 147 103 206 219 338 218 361 191 101 339 203 0.867 24.18 -3.5 80 85 64 85 581 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1018 myo-Inositol 25.2127 2397.1 3.4 scans 78% TIC 0.51% 0.223% 1818 1.0 330 192969 0.377% 5318818 5237415 8984124 1-2 0.971 25.21 0.3 97 96 95 100 470 22.7 0.473 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6157 2436.9 3.1 scans 59% 91 m/z 0.52% 0.0669% 1856 1.4 186 189570 1595664 1520098 2-3 16: 91 117 194 207 92 208 65 115 193 312 104 51 118 178 128 102 0.940 25.61 0.6 98 98 98 98 312 21.7 1.363 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2986 2504.7 2.9 scans 44% 204 m/z 1.0% 0.0392% 1921 0.9 150 91244 0.0430% 935934 779929 1024714 15-0 9: 204 217 205 219 206 218 189 305 220 0.952 25.86 44.0 88 93 92 98 361 8.9 0.346 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5574 2531.4 2.9 scans 36% 512 m/z 1.6% 0.0519% 1945 0.9 170 59517 1237262 1237262 0-0 17: 512 455 247 513 456 514 483 248 349 263 457 497 423 235 409 261 179 0.970 26.57 -1.7 93 93 79 94 512 61.1 12.897 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9331 2570.3 2.8 scans 93% 371 m/z 0.039% 1.55% 1981 0.7 953 2510312 37028372 36100281 1-1 20: 371 372 73 147 129 57 205 203 239 373 459 103 55 71 116 145 75 117 101 85 1.000 26.39 55.7 90 97 97 100 459 119.6 1.579 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1010 Sucrose 27.4192 2621.1 2.9 scans 78% 361 m/z (397) 0.17% 0.436% 2027 1.0 475 559001 0.590% 10398416 9791055 14060035 1-3 20: 361 73 217 362 437 147 363 103 271 218 169 451 438 243 319 191 439 74 364 452 0.991 27.58 -17.1 98 99 98 99 437 84.5 3.171 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN LQC1-N1008 Sucrose 27.4213 2621.4 3.2 scans 76% TIC 0.17% 0.387% 2028 1.3 483 556855 0.803% 9223311 9223311 19135945 0-0 0.931 27.59 -18.1 99 98 94 99 437 83.9 3.020 -0.170 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7292 2764.2 2.7 scans 93% 399 m/z 0.061% 0.965% 2152 0.8 781 1624565 23019850 22472118 0-1 20: 399 400 73 147 129 57 205 203 103 55 71 401 487 116 145 75 117 85 101 69 1.000 28.19 60.3 89 98 98 100 487 97.0 1.545 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN SQUALENE-N1017 Squalene STD 29.0827 2804.0 3.2 scans 55% 69 m/z 0.60% 0.0751% 2185 1.0 205 166183 1792004 1669837 1-1 19: 69 81 137 68 136 95 121 93 123 67 149 109 107 82 135 70 94 53 122 0.971 29.09 -1.1 88 89 93 88 410 9.5 0.214 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8308 2888.2 3.0 scans 53% 57 m/z 0.91% 0.0566% 2257 1.3 189 109847 0.0707% 1350685 1255223 1684821 3-2 18: 57 71 85 55 99 56 83 97 113 70 127 84 141 140 98 58 86 72 0.991 29.83 0.5 94 94 97 93 408 10.1 0.286 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1038 Hexacosanol 30.1749 2928.4 2.9 scans 7.3% 439 m/z 6.6% 0.00458% 2289 1.0 50 14947 0.00725% 109162 109162 172772 0-0 3: 439 440 441 0.865 30.17 0.3 93 96 60 97 439 32.9 43.646 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4200 2957.5 3.0 scans 65% 193 m/z (57) 0.70% 0.185% 2313 1.0 312 141013 4417513 4209725 1-2 14: 193 119 105 163 120 91 194 176 171 247 121 515 325 106 0.989 30.36 7.4 89 90 94 91 529 13.3 0.181 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4632 2962.6 2.9 scans 50% 57 m/z 0.70% 0.0792% 2317 0.8 215 141794 0.0889% 1887408 1696597 2118537 1-1 12: 57 71 56 85 393 99 97 392 70 394 113 365 0.983 30.46 0.0 93 93 95 95 393 50.3 5.465 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2102 3051.3 2.9 scans 76% 57 m/z 0.20% 0.305% 2388 0.9 428 499316 7270807 7026593 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 421 58 392 155 0.990 31.21 -0.2 99 98 99 99 393 61.4 2.056 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1048 Hentriacontane 31.5164 3087.7 2.8 scans 78% 57 m/z 0.12% 0.480% 2417 0.8 544 810821 11446549 11126475 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 112 155 58 82 0.998 31.53 -1.8 99 98 99 98 436 30.1 0.307 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6848 3107.7 3.6 scans 16% 204 m/z (117) 1.6% 0.0307% 2433 1.0 116 60429 0.312% 732740 732740 7435137 0-0 12: 204 597 205 337 217 73 129 191 147 103 598 206 0.890 31.68 1.1 84 88 80 88 597 15.0 1.663 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8121 3122.8 2.9 scans 72% 502 m/z 0.15% 0.309% 2445 0.9 434 629364 7373215 7365154 0-1 15: 502 237 503 73 236 238 504 277 221 223 239 208 74 505 467 0.984 31.79 2.4 99 98 95 99 502 213.6 24.247 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9468 3138.8 3.1 scans 84% 329 m/z 0.26% 0.778% 2458 0.8 655 375295 18563539 18521696 0-1 17: 329 129 368 458 353 95 75 119 107 121 105 81 330 145 328 369 93 0.998 31.87 9.4 96 95 95 98 458 94.0 2.059 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1088 3158.1 3.2 scans 56% 57 m/z 0.19% 0.332% 2473 1.0 430 505497 0.462% 7919871 7619152 11009722 2-1 20: 57 71 85 56 421 55 83 69 99 97 70 420 422 113 127 111 84 141 58 72 0.977 32.11 -0.1 96 94 97 99 421 92.9 4.674 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3098 3181.9 3.3 scans 24% 57 m/z 0.41% 0.169% 2492 1.1 302 238498 0.471% 4031877 3630147 11224197 8-2 14: 57 71 85 99 56 97 70 113 84 127 140 112 58 86 0.910 32.33 -2.0 81 83 93 92 785 7.6 0.000 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.6444 3221.7 3.2 scans 6.1% 457 m/z 3.2% 0.0213% 2524 1.1 103 30381 0.0557% 509902 457781 1327363 0-1 2: 457 458 0.777 32.71 -8.2 82 87 60 86 457 35.1 11.614 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1046 Stigmasterol 32.9758 3261.0 3.3 scans 65% 83 m/z (309) 0.24% 0.808% 2556 0.9 624 406106 1.65% 19257271 18840296 39320436 1-0 19: 83 129 55 255 69 394 484 81 75 133 119 159 105 145 107 97 93 95 351 0.990 32.98 -0.8 94 95 96 97 665 7.6 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1002 Stigmasterol 32.9758 3261.0 3.3 scans 77% 83 m/z 0.25% 0.860% 2556 0.9 679 384999 1.76% 20513972 20069786 41941798 1-0 19: 83 129 55 255 69 394 484 81 75 133 119 159 105 145 107 97 93 95 351 0.989 32.42 66.1 84 95 95 95 665 63.3 0.869 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1147 3277.5 3.3 scans 82% 57 m/z 0.048% 1.68% 2569 0.5 918 2071724 1.91% 40090311 38151905 45516383 0-7 20: 57 71 85 99 55 83 97 69 113 56 70 127 111 84 141 98 112 155 82 126 0.996 33.10 2.1 88 85 97 93 515 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN WTF2-N1034 b-Sitosterol 33.4693 3319.6 3.7 scans 44% 357 m/z 0.78% 0.294% 2602 0.9 361 126675 7022778 6639840 1-2 10: 357 396 486 381 358 397 356 487 120 255 0.984 32.88 70.3 82 94 92 96 486 52.6 2.130 0.592 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7103 3348.2 5.1 scans 24% TIC 0.96% 0.107% 2625 1.4 243 103143 2565529 2439765 0-1 0.433 33.75 -5.3 85 89 68 89 485 51.1 4.422 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.4468 3435.7 3.8 scans 29% 499 m/z 0.85% 0.190% 2695 1.1 295 116496 0.266% 4538748 4422355 6338931 0-4 3: 499 500 369 0.899 34.22 27.0 86 86 63 95 499 76.8 6.756 0.227 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5794 3451.5 3.8 scans 21% 596 m/z 0.62% 0.0969% 2708 1.0 203 159934 0.0976% 2309856 2282569 2325863 0-2 16: 596 597 598 316 302 599 356 315 318 303 288 357 304 370 286 524 0.929 34.47 12.8 97 96 87 99 596 107.7 28.210 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN EXBLK5S-N1006 Contamination 6.3827 1048.9 1.8 scans 70% 207 m/z 0.63% 0.0378% 28 1.2 182 156919 886020 881171 1-1 15: 207 295 208 209 296 191 297 279 193 84 210 189 177 192 247 0.912 6.63 -14.4 97 97 86 97 295 57.0 9.779 -0.242 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8558 1136.3 4.2 scans 44% 73 m/z 4.7% 0.00909% 168 0.9 67 21117 0.185% 212740 212740 4327604 0-0 5: 73 147 148 66 149 0.942 7.79 3.7 84 83 80 88 219 0.0 0.000 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1192 Contamination 8.0157 1145.7 2.7 scans 95% TIC 0.18% 0.346% 183 1.0 428 530532 0.353% 8101555 7021479 8257537 6-7 0.998 7.99 1.5 97 96 97 97 235 85.3 3.981 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1026 Cadaverine NC 8.1409 1153.2 2.3 scans 64% 174 m/z 2.7% 0.0100% 195 1.1 82 36386 234186 215808 2-1 10: 174 216 175 142 86 100 176 160 130 217 0.985 7.74 24.0 93 93 86 95 216 20.8 6.421 0.405 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1188 Contamination 8.3240 1164.0 3.3 scans 76% TIC 2.7% 0.0310% 213 2.3 107 36616 726822 539440 1-8 0.971 8.41 -5.4 96 95 76 97 369 30.9 8.389 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1186 Phosphate 8.5449 1177.1 2.3 scans 97% 241 m/z 0.058% 0.479% 234 0.9 568 1708220 11223612 10809174 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 121 134 75 212 1.000 8.56 -0.9 100 99 99 100 299 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN VEN77_S6-N1002 Glycerol 10.0622 1266.2 4.9 scans 97% 299 m/z 0.013% 4.88% 378 0.3 1287 7505450 114223751 111198425 1-1 20: 299 300 73 314 301 133 283 207 315 211 193 191 316 302 135 74 225 75 131 284 1.000 10.09 -1.8 98 97 93 99 299 731.1 32.460 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LACTIC~1-N1034 Glycerol 10.0696 1266.6 4.9 scans 5.2% 205 m/z (299) 0.33% 0.259% 379 0.3 283 297622 6064298 5665594 1-1 20: 205 103 117 218 206 204 129 101 203 219 183 175 217 293 220 130 159 186 157 237 0.648 10.11 -2.4 82 93 55 92 293 21.2 0.559 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6904 1303.0 3.6 scans 90% TIC 1.3% 0.116% 438 0.9 224 75850 2719640 2571140 1-1 0.996 10.73 -2.6 86 79 68 99 209 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0229 1323.1 2.6 scans 43% 184 m/z 6.9% 0.00708% 469 1.0 66 14347 0.00758% 165683 158217 177315 0-1 9: 184 134 285 174 185 86 100 59 172 0.866 11.06 -2.4 90 91 81 91 285 21.7 10.682 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3954 1345.5 5.1 scans 87% TIC 0.57% 0.132% 505 0.6 209 172800 0.174% 3088580 2980085 4070287 1-0 0.975 11.45 -3.0 97 96 95 99 145 60.5 8.372 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1146 Malic acid 13.4724 1473.8 2.5 scans 93% TIC 0.36% 0.124% 702 0.9 282 272384 0.155% 2922504 2714583 3625830 2-2 0.997 13.62 -9.0 97 96 94 96 350 0.0 0.000 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN TAB_REP6-N1026 Malic acid 13.4724 1473.8 2.4 scans 93% 73 m/z 0.36% 0.117% 702 1.0 282 274238 2750094 2687560 2-1 20: 73 147 233 245 133 189 148 190 74 191 75 175 55 101 149 335 234 59 265 217 1.000 13.53 -3.8 98 97 96 97 335 33.6 1.425 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2826 1526.1 2.6 scans 60% 263 m/z (111) 0.74% 0.0344% 779 1.0 147 134526 806053 787254 1-1 18: 263 264 278 265 447 342 279 175 240 448 103 207 247 191 128 335 135 149 0.994 14.33 -2.9 88 86 82 96 278 38.0 6.689 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1044 Dodecanol 14.7340 1556.0 2.6 scans 74% 243 m/z 1.3% 0.0293% 822 1.0 135 71857 686501 686014 1-0 14: 243 244 103 89 97 83 101 245 61 111 115 59 74 81 0.996 14.24 32.6 94 96 93 97 243 71.5 28.017 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1976 1655.6 2.9 scans 70% 290 m/z 1.1% 0.0337% 961 1.9 132 88534 0.0446% 789656 766800 1043303 1-0 11: 290 73 291 292 392 158 131 144 59 115 293 0.898 16.28 -5.5 93 90 85 98 392 18.2 1.905 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5480 1679.9 2.8 scans 71% TIC 1.7% 0.0280% 994 1.1 141 56539 0.131% 657153 529853 3064412 3-0 0.977 16.63 -5.5 94 94 91 93 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1010 Glycerol-P 17.4802 1746.9 2.5 scans 97% 357 m/z 0.049% 1.87% 1083 0.7 1094 2032473 43812833 43609814 1-0 20: 357 299 73 358 147 315 300 370 445 211 359 103 101 301 387 133 129 256 218 131 0.997 16.97 37.4 96 99 99 99 445 172.1 2.476 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4346 1817.4 4.1 scans 88% 73 m/z 0.030% 4.23% 1174 0.4 1277 3268754 98987724 97570148 0-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 133 213 58 66 77 90 121 0.937 17.91 39.2 94 99 93 98 327 125.1 0.961 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1012 Phytol 18.5650 1827.3 3.0 scans 97% 68 m/z 0.083% 1.67% 1186 0.7 954 1202188 1.83% 39247360 38795402 42808192 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 79 56 70 53 1.000 18.04 39.2 94 98 99 99 278 55.2 0.335 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1016 Hexadecene 18.6292 1832.2 2.9 scans 88% TIC 0.37% 0.243% 1192 1.5 350 265392 6.09% 5687151 5264158 142460050 0-4 0.991 18.10 39.8 84 84 93 97 280 50.5 2.076 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6576 1834.4 2.7 scans 68% 285 m/z (70) 1.5% 0.0545% 1195 0.9 171 66084 0.987% 1277160 1153584 23088353 6-2 18: 285 117 75 132 129 286 145 118 131 287 300 61 201 116 241 76 130 257 0.979 18.73 -5.3 94 95 87 96 300 16.4 0.925 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1002 Phytol 18.8min 18.8596 1849.8 2.7 scans 93% 81 m/z 0.50% 0.258% 1214 1.0 395 196335 6037397 5765231 1-3 20: 81 82 68 95 57 123 69 55 83 67 79 71 96 97 109 124 53 110 278 56 0.998 18.84 1.5 100 99 99 99 278 45.1 1.301 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1072 Fructose 18.9512 1856.8 2.7 scans 88% 73 m/z 0.37% 0.156% 1223 0.9 305 265848 3651511 3567799 1-1 20: 73 103 307 217 147 308 277 218 133 74 205 309 104 189 117 89 364 148 219 191 0.997 19.03 -6.2 94 93 94 94 364 28.6 0.878 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1070 Fructose 19.0701 1865.8 2.7 scans 69% 73 m/z 0.53% 0.105% 1234 1.1 253 188175 2478038 2277722 1-4 20: 73 103 307 217 147 308 218 277 309 74 205 104 89 364 133 262 148 189 219 117 0.997 19.19 -9.5 90 89 91 90 554 9.7 0.148 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1048 1868.5 3.1 scans 95% TIC 0.26% 0.652% 1237 0.6 555 380776 15265543 13762430 1-1 1.000 18.58 40.1 93 96 98 99 278 74.9 1.821 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1064 Mannose 19.2721 1881.2 2.7 scans 86% 73 m/z 0.36% 0.186% 1253 1.0 328 274591 4361902 3796065 7-1 20: 73 319 205 160 147 320 217 103 321 206 117 74 133 229 207 189 161 157 148 129 0.997 19.45 -14.0 97 96 95 96 319 118.6 13.044 -0.183 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1068 Galactopyranose 19.3468 1886.9 2.8 scans 57% 204 m/z 2.2% 0.0274% 1260 1.3 125 45184 0.0632% 641169 621204 1478403 0-1 8: 204 191 192 206 218 193 305 243 0.960 19.32 2.4 81 79 73 86 435 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN BRA4_R~2-N1004 Galactose 19.5194 1900.1 2.9 scans 72% 319 m/z 1.7% 0.0595% 1277 1.0 180 55975 0.0627% 1393160 1301296 1466707 1-2 11: 319 160 320 147 103 217 321 89 229 155 50 0.981 19.36 12.0 85 85 61 86 364 0.0 0.000 0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9245 1932.7 2.6 scans 77% 204 m/z 0.32% 0.123% 1315 1.2 270 304891 0.134% 2895993 2673493 3134589 5-2 17: 204 217 205 159 147 206 129 218 103 191 133 189 160 219 148 305 291 0.976 19.91 1.0 97 95 94 98 361 13.2 0.241 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2854 1961.7 2.8 scans 29% 204 m/z 2.8% 0.0129% 1349 1.0 87 35174 303726 303726 0-0 8: 204 191 205 217 192 206 218 189 0.931 20.41 -10.3 83 83 82 83 217 22.1 6.419 -0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7988 2003.1 3.0 scans 95% TIC 0.20% 0.824% 1398 0.9 657 478446 0.866% 19275573 18379389 20257866 1-12 1.000 20.27 42.9 82 82 94 98 322 44.5 0.460 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1038 C16:0 21.1639 2033.8 3.5 scans 97% 313 m/z 0.029% 3.82% 1433 0.5 1338 3366789 89591741 89522958 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 133 69 74 201 315 116 269 1.000 20.62 45.5 94 99 99 100 328 152.9 1.307 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6732 2076.6 2.9 scans 37% 305 m/z 3.9% 0.0192% 1481 1.1 104 25168 449200 447513 2-0 15: 305 217 318 191 265 319 307 218 320 432 291 367 433 192 266 0.989 21.75 -6.3 87 88 73 88 507 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9720 2101.7 2.9 scans 86% TIC 0.56% 0.193% 1510 0.9 319 177854 0.329% 4524323 4140752 7696118 1-3 0.989 22.33 -31.3 96 98 97 99 342 39.2 1.507 -0.358 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1898 2120.8 3.2 scans 16% 396 m/z 7.0% 0.00688% 1530 1.2 59 14110 0.00855% 161089 161089 200005 0-0 7: 396 219 397 381 398 220 307 0.719 22.19 0.3 86 88 54 88 396 31.7 29.174 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4077 2139.8 3.0 scans 25% 204 m/z (327) 5.1% 0.00897% 1551 0.9 62 19393 0.104% 210050 189257 2432815 3-3 4: 204 249 205 206 0.876 22.71 -26.7 80 86 81 85 518 0.0 0.000 -0.306 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1042 C18:2 23.0726 2197.9 >6 scans 62% 75 m/z (342) 0.23% 1.47% 1614 1.0 629 428588 8.69% 34509768 32622944 203280432 4-0 20: 75 338 352 69 234 151 152 221 116 166 187 61 353 186 340 160 119 264 172 198 0.969 22.53 47.1 86 95 93 97 352 41.1 0.428 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1968 2209.1 5.8 scans 100% 110 m/z 0.037% 8.64% 1626 0.4 1663 2694077 17.7% 202319778 202147895 414046450 0-1 20: 110 98 84 124 56 338 264 352 70 138 179 200 202 220 112 309 152 193 296 166 0.995 23.12 7.3 99 99 99 99 350 118.8 0.511 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1036 C18:0 23.4188 2229.4 2.8 scans 89% 341 m/z 0.11% 0.817% 1647 0.8 687 861491 19116772 17613381 2-4 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 116 297 0.999 22.89 47.6 93 99 98 99 356 89.8 1.707 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1596 2297.1 3.2 scans 35% 204 m/z (117 333) 0.84% 0.0538% 1718 0.9 157 118652 0.0643% 1259670 1172853 1504135 0-11 17: 204 217 205 147 337 103 206 219 218 338 361 191 339 203 101 189 231 0.915 24.01 13.6 83 88 84 88 490 0.0 0.000 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1596 2297.1 3.2 scans 37% 204 m/z (117) 0.83% 0.0557% 1718 0.9 160 119191 0.0666% 1304070 1214192 1557937 0-11 17: 204 217 205 147 337 103 206 219 218 338 361 191 339 203 101 189 231 0.870 24.18 -2.0 88 91 84 90 581 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1018 myo-Inositol 25.2275 2398.5 3.5 scans 70% TIC 0.69% 0.168% 1819 1.2 282 143462 0.326% 3932026 3921837 7625940 1-0 0.946 25.21 1.7 98 97 94 100 470 19.3 0.469 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6379 2439.1 3.4 scans 50% 91 m/z 0.74% 0.0515% 1858 1.2 153 135063 1206091 1105979 2-2 16: 91 117 194 207 92 115 208 193 65 312 104 118 51 178 179 63 0.973 25.61 2.8 97 97 95 97 312 18.6 1.468 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3166 2506.6 3.1 scans 57% 204 m/z 0.70% 0.0764% 1923 1.1 191 142408 0.285% 1787517 1433576 6666850 22-0 9: 204 217 205 147 219 206 218 305 220 0.963 25.86 45.9 87 91 93 99 361 9.7 0.259 0.461 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5733 2533.1 2.8 scans 43% 512 m/z (218) 1.3% 0.0631% 1947 1.0 189 76261 1477281 1395926 1-1 16: 512 455 247 513 456 483 514 248 349 263 457 484 497 423 409 235 0.957 26.57 -0.0 93 95 85 96 512 63.8 11.420 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9500 2572.0 2.7 scans 94% 371 m/z 0.035% 1.71% 1983 0.7 999 2833864 40065306 39320174 1-0 20: 371 372 73 147 129 57 205 203 239 103 373 55 71 459 116 145 75 117 101 85 1.000 26.39 57.4 90 98 97 100 459 124.9 1.567 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN LQC1-N1008 Sucrose 27.4350 2622.8 2.8 scans 29% 361 m/z 0.88% 0.0584% 2029 1.1 185 112794 0.0627% 1366682 1305847 1466707 1-15 11: 361 362 437 363 271 438 451 364 439 452 272 0.788 27.59 -16.7 96 96 81 96 437 38.3 4.291 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7450 2766.0 3.0 scans 93% 399 m/z 0.062% 1.09% 2153 0.9 757 1606530 25510981 24785230 1-1 20: 399 400 73 147 129 57 205 203 401 487 55 103 71 116 145 75 267 85 117 101 1.000 28.19 62.1 89 98 97 100 487 97.5 1.659 0.552 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN SQUALENE-N1017 Squalene STD 29.0996 2805.9 3.2 scans 52% 69 m/z 0.64% 0.0686% 2187 1.1 197 155088 1606661 1520404 1-1 19: 69 81 136 137 68 95 121 93 67 123 149 109 107 82 135 70 53 94 122 0.965 29.09 0.8 87 88 93 88 410 10.4 0.281 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8477 2890.1 3.1 scans 39% 57 m/z 1.5% 0.0398% 2258 1.4 145 65972 0.0465% 932320 716070 1087749 7-1 13: 57 71 85 99 56 70 113 127 140 168 141 58 126 0.982 29.83 2.4 86 87 95 87 408 7.6 0.275 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1038 Hexacosanol 30.1950 2930.8 2.9 scans 8.1% 439 m/z 5.6% 0.00559% 2291 0.9 55 17852 0.00761% 130788 130788 178017 0-0 3: 439 440 441 0.734 30.17 2.7 95 98 65 97 439 35.7 41.975 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4380 2959.6 3.2 scans 58% 193 m/z (204) 0.68% 0.204% 2314 1.2 308 146698 4782458 4484358 2-2 18: 193 119 105 163 120 176 194 91 171 515 247 121 325 106 158 516 185 164 0.977 30.36 9.5 90 92 91 92 529 12.6 0.167 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4801 2964.6 3.4 scans 36% 57 m/z (193) 1.2% 0.0633% 2318 0.8 160 77566 0.0739% 1482608 1297423 1728702 2-1 12: 57 71 56 393 85 392 99 394 70 113 86 365 0.975 30.46 2.0 93 95 96 95 393 37.4 5.488 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2251 3053.1 3.1 scans 71% 57 m/z 0.25% 0.257% 2389 1.1 375 384882 0.282% 6012011 5679590 6596672 2-2 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 84 141 421 394 392 98 0.987 31.21 1.6 99 98 99 99 393 55.3 2.174 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1048 Hentriacontane 31.5270 3089.0 4.0 scans 58% TIC 0.30% 0.325% 2418 0.4 342 327693 0.438% 7603473 5017163 10245895 6-0 0.988 31.53 -0.5 97 96 99 97 436 19.5 0.325 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6975 3109.2 7.3 scans 20% 204 m/z 1.6% 0.0161% 2434 1.5 123 60279 0.174% 378677 378513 4070287 0-1 12: 204 597 337 205 73 217 206 361 103 191 598 243 0.725 31.68 2.6 86 87 80 88 597 15.4 1.572 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8301 3124.9 3.1 scans 72% 502 m/z 0.15% 0.363% 2447 0.9 431 627110 8498253 8025346 1-1 15: 502 237 503 73 236 238 504 277 221 223 239 208 74 505 235 0.983 31.79 4.5 99 98 96 100 502 211.3 24.031 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9647 3140.9 3.3 scans 83% 329 m/z 0.30% 0.765% 2459 0.8 608 327971 17906708 17007955 1-1 18: 329 129 368 353 458 95 75 330 107 119 121 105 81 145 328 369 55 93 0.998 31.87 11.5 96 95 95 98 458 89.2 2.152 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1257 3160.1 3.2 scans 56% 57 m/z 0.23% 0.285% 2475 1.1 389 420353 0.383% 6670219 6431211 8959310 2-1 20: 57 71 85 56 421 55 83 69 99 97 70 422 113 420 127 111 84 141 58 155 0.991 32.11 1.9 99 98 99 99 421 87.5 5.068 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1046 Stigmasterol 32.9959 3263.4 3.3 scans 74% 83 m/z (309) 0.24% 0.944% 2557 0.8 650 401327 1.42% 22088963 20921939 33217286 1-4 20: 83 129 55 255 69 394 484 81 75 159 133 119 145 105 107 351 93 95 355 97 0.991 32.98 1.6 96 97 99 98 665 7.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1180 3277.9 3.1 scans 79% 57 m/z 0.077% 0.977% 2569 0.8 708 1295342 22865111 21071938 2-7 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.993 33.10 2.5 91 89 98 94 515 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3610 3306.8 3.9 scans 16% 99 m/z 3.7% 0.0364% 2592 0.6 143 26870 852974 781785 2-1 15: 99 437 529 199 189 361 438 71 530 218 169 173 451 200 531 0.828 33.38 -2.1 90 91 83 91 529 24.2 2.859 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN WTF2-N1034 b-Sitosterol 33.4862 3321.6 3.5 scans 53% 357 m/z 0.75% 0.320% 2604 1.1 374 132815 7508173 6933865 1-3 8: 357 396 486 381 358 397 356 487 0.984 32.88 72.3 82 95 94 97 486 53.4 2.033 0.609 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6072 3336.0 3.8 scans 26% 386 m/z 2.9% 0.115% 2616 1.2 219 33446 0.127% 2696258 2696258 2970842 0-0 6: 386 296 387 371 228 388 0.791 33.58 2.7 82 82 81 90 505 12.6 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7314 3350.8 5.0 scans 26% TIC 0.72% 0.166% 2627 1.0 274 137400 0.479% 3898745 3766454 11204986 0-3 0.402 33.75 -2.7 87 90 63 91 485 64.0 5.447 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9082 3371.8 3.6 scans 1.7% 441 m/z 7.0% 0.00347% 2644 1.1 39 14194 81332 81332 0-0 3: 441 442 646 0.695 33.80 13.4 84 88 50 87 646 7.7 3.800 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2428 3411.5 5.4 scans 16% TIC 1.9% 0.0110% 2676 0.7 137 51918 0.0398% 258761 250208 931020 0-1 0.872 34.22 2.8 91 94 83 93 499 36.3 6.982 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6026 3454.2 4.2 scans 25% 596 m/z 0.53% 0.129% 2710 1.0 223 186206 3035719 2981842 1-1 13: 596 597 598 316 599 497 318 356 315 303 300 330 287 0.921 34.47 15.5 96 94 85 99 596 115.2 26.628 0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN EXBLK5S-N1006 Contamination 6.3709 1048.2 2.4 scans 66% 207 m/z 0.87% 0.0419% 27 2.1 161 114508 1143961 1041436 1-10 14: 207 295 208 209 296 191 297 279 189 193 177 210 192 247 0.859 6.63 -15.1 97 96 89 97 295 46.1 8.233 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8398 1135.3 4.3 scans 51% 147 m/z 3.7% 0.0163% 167 0.6 77 26556 0.206% 446806 410889 5623091 2-0 6: 147 73 148 66 149 72 0.922 7.79 2.7 81 79 78 88 219 7.1 0.854 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1192 Contamination 8.0008 1144.9 2.6 scans 95% 73 m/z 0.16% 0.312% 182 0.7 449 612205 8543108 7930280 4-2 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 100 149 75 131 134 236 0.999 7.99 0.7 97 96 97 97 235 92.3 4.221 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1188 Contamination 8.3196 1163.8 4.2 scans 60% 281 m/z 4.9% 0.0141% 212 2.1 77 20131 386032 383630 0-2 8: 281 369 282 283 370 265 371 249 0.911 8.41 -5.6 91 91 68 94 369 22.3 8.420 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1186 Phosphate 8.5279 1176.1 2.1 scans 95% 241 m/z 0.14% 0.141% 232 1.2 343 674343 3874587 3708935 1-1 19: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 257 121 137 134 212 0.999 8.56 -1.9 100 100 99 100 299 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1180 Benzoic acid 9.6885 1244.3 3.3 scans 30% 179 m/z (217) 9.7% 0.00528% 342 0.6 45 10308 0.00576% 144321 112888 157228 2-0 4: 179 105 135 180 1.000 9.76 -4.2 89 93 83 93 194 5.0 1.209 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN VEN77_S6-N1002 Glycerol 10.0589 1266.0 5.6 scans 97% 299 m/z 0.012% 5.21% 378 0.4 1326 8277710 142398351 142385370 1-0 20: 299 73 300 314 301 133 283 207 147 315 211 193 191 205 316 135 74 75 225 103 1.000 10.09 -2.0 98 97 93 99 299 747.7 31.969 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6765 1302.2 3.4 scans 91% 199 m/z 1.3% 0.0930% 436 0.9 216 75757 2539878 2524236 1-0 17: 199 75 117 145 55 69 132 131 129 83 111 71 84 74 67 76 81 0.995 10.73 -3.4 88 82 71 99 209 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0122 1322.4 2.8 scans 85% 184 m/z 1.1% 0.0542% 468 0.9 183 90702 1481822 1322353 6-1 20: 184 134 285 73 174 77 86 100 59 185 227 286 172 135 186 110 175 130 178 78 0.993 11.06 -3.1 98 97 95 99 285 53.5 8.587 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3804 1344.6 4.6 scans 93% TIC 0.55% 0.108% 503 0.7 209 179476 0.145% 2964056 2811791 3958001 1-0 0.999 11.45 -3.9 98 96 96 99 145 60.0 8.213 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1146 Malic acid 13.4606 1473.0 2.5 scans 92% TIC 0.44% 0.0928% 701 0.9 254 224125 0.119% 2534306 2415388 3248291 1-2 0.994 13.62 -9.8 96 95 92 95 350 0.0 0.000 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN TAB_REP6-N1026 Malic acid 13.4606 1473.0 2.5 scans 91% 73 m/z 0.44% 0.0880% 701 1.0 253 224186 2402991 2344537 1-1 20: 73 147 233 245 133 148 189 190 191 74 75 335 149 175 234 101 55 307 59 265 1.000 13.53 -4.6 97 96 95 96 335 30.9 1.491 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1044 Dodecanol 14.7222 1555.3 2.7 scans 79% 243 m/z 1.0% 0.0310% 821 1.0 146 93166 847624 832771 3-1 14: 243 75 244 103 89 97 83 245 101 61 111 76 59 115 0.995 14.24 31.9 94 96 94 97 243 79.3 29.710 0.480 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1869 1654.9 2.9 scans 44% 290 m/z (195) 1.1% 0.0217% 960 1.8 108 86064 594058 578526 0-2 8: 290 291 292 158 392 144 293 115 0.967 16.28 -6.2 94 96 84 96 392 16.4 2.314 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5372 1679.2 2.8 scans 81% 55 m/z 0.87% 0.0757% 993 1.3 196 114522 0.0997% 2067801 1528305 2721467 9-3 18: 55 69 83 97 56 70 84 111 127 82 113 98 68 140 125 67 96 54 0.976 16.63 -6.2 95 95 93 94 210 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1010 Glycerol-P 17.4705 1746.2 2.5 scans 98% 357 m/z 0.044% 1.74% 1082 0.7 1112 2266142 47567817 47567817 0-0 20: 357 299 73 358 147 315 300 370 445 211 359 101 103 301 387 133 129 256 218 328 1.000 16.97 36.7 96 99 99 99 445 177.0 2.536 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4249 1816.6 3.9 scans 88% 73 m/z 0.029% 3.52% 1173 0.5 1256 3393889 96171191 92101671 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 66 90 121 213 77 0.936 17.91 38.4 94 99 93 98 327 124.7 0.987 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.0 scans 97% 68 m/z 0.059% 2.14% 1186 0.5 1103 1678822 2.40% 58510642 57685259 65511742 2-0 20: 68 95 82 57 55 69 123 81 67 83 97 71 96 109 124 111 56 79 70 53 0.999 18.04 39.1 94 98 99 99 278 65.7 0.355 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1016 Hexadecene 18.6238 1831.8 3.0 scans 89% TIC 0.26% 0.299% 1192 1.4 404 371812 6.03% 8175972 7575972 164598253 0-4 0.998 18.10 39.4 85 85 92 97 280 59.3 2.152 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6479 1833.6 2.7 scans 55% 285 m/z (70) 1.4% 0.0441% 1194 1.0 168 70068 1204284 1136162 2-1 14: 285 117 132 129 145 286 118 300 116 287 201 241 61 146 0.941 18.73 -6.1 94 95 83 96 300 16.6 0.969 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1068 Galactopyranose 18.7742 1843.3 2.6 scans 54% 204 m/z 2.4% 0.0146% 1206 0.9 101 41320 0.0580% 401046 367181 1583200 1-2 10: 204 191 205 217 147 192 206 218 193 148 0.872 19.32 -41.2 81 86 84 87 435 0.0 0.000 -0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1002 Phytol 18.8min 18.8521 1849.2 2.7 scans 94% 81 m/z 0.36% 0.330% 1213 1.1 455 277314 0.335% 9018673 8389974 9144347 1-7 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 109 97 53 278 110 56 0.998 18.84 0.9 97 97 99 97 278 53.1 1.364 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1072 Fructose 18.9405 1855.9 2.7 scans 87% 73 m/z 0.36% 0.138% 1222 0.9 300 270278 3784634 3669638 1-1 20: 73 103 217 307 147 308 277 218 133 309 74 205 189 104 117 364 89 148 191 172 0.996 19.03 -7.1 96 95 95 95 364 29.0 0.935 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1070 Fructose 19.0594 1865.0 2.7 scans 72% 73 m/z 0.52% 0.0954% 1233 1.0 249 189755 2604535 2386747 2-3 20: 73 103 307 217 147 308 218 277 309 205 89 262 74 104 133 189 364 117 148 219 0.998 19.19 -10.3 90 89 90 89 554 11.7 0.221 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0993 1868.1 2.9 scans 97% TIC 0.17% 0.782% 1237 0.5 655 564824 21354718 20820761 1-1 0.999 18.58 39.7 93 96 98 99 278 89.7 1.877 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN BRA4_R~2-N1004 Galactose 19.2614 1880.4 2.7 scans 75% 73 m/z 0.82% 0.0680% 1252 1.0 210 121676 0.140% 1857579 1615983 3821518 5-1 20: 73 319 205 147 160 320 217 103 321 206 74 117 229 148 161 133 157 207 189 291 0.995 19.36 -7.7 96 95 94 97 364 12.4 0.345 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9148 1931.9 3.0 scans 87% TIC 0.25% 0.192% 1314 1.3 309 385525 0.285% 5252637 4689643 7779519 1-1 0.985 19.91 0.2 96 94 94 99 361 14.9 0.234 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7934 2002.6 2.9 scans 94% 73 m/z 0.15% 0.916% 1398 0.8 745 641138 0.920% 25006954 23736839 25112835 4-1 20: 73 75 79 67 93 95 91 129 108 80 55 81 307 117 94 121 77 107 135 145 1.000 20.27 42.4 82 82 94 97 322 52.2 0.489 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1038 C16:0 21.1606 2033.5 3.5 scans 96% 313 m/z 0.024% 3.90% 1433 0.3 1397 4041233 106648528 100920712 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 69 315 74 269 116 1.000 20.62 45.2 94 99 99 100 328 162.8 1.359 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9624 2100.9 3.2 scans 80% TIC 0.70% 0.134% 1509 0.8 275 140888 0.250% 3671872 3306216 6824140 1-3 0.976 22.33 -32.1 95 97 95 99 342 34.3 1.560 -0.368 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1781 2119.7 3.3 scans 48% 396 m/z 1.9% 0.0343% 1529 1.2 135 52373 0.0390% 937612 903044 1064566 1-0 13: 396 219 397 381 398 220 307 382 191 399 249 221 383 0.911 22.19 -0.8 93 92 81 93 396 59.5 19.466 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3980 2139.0 3.0 scans 24% 204 m/z 3.8% 0.00732% 1550 1.0 68 25927 0.0729% 200067 184089 1989919 3-3 4: 204 249 205 206 0.835 22.71 -27.5 83 87 75 87 518 0.0 0.000 -0.316 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1040 Phytol 22.6189 2158.2 3.6 scans 90% 143 m/z 0.079% 0.447% 1571 1.1 471 1251437 12220599 11614120 5-2 18: 143 73 75 144 123 81 57 55 145 124 95 97 103 82 74 83 67 68 0.997 22.08 46.7 81 82 90 96 181 6.9 0.021 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2008 2209.5 6.9 scans 94% 79 m/z 0.035% 10.1% 1627 0.2 1656 2838869 11.1% 277671691 274288000 302991808 0-1 20: 79 75 73 95 93 67 108 335 80 91 81 129 107 121 94 135 149 55 77 117 0.999 23.12 7.7 96 95 98 95 350 121.5 0.538 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1036 C18:0 23.4165 2229.2 2.8 scans 93% 341 m/z 0.064% 1.21% 1647 0.7 892 1548169 33103464 32314821 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 1.000 22.89 47.4 93 98 98 99 356 116.9 1.717 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7185 2256.8 3.0 scans 10% 163 m/z 1.9% 0.0133% 1676 0.9 88 51752 0.0209% 365643 335554 570498 1-0 4: 163 331 165 332 0.402 23.72 -0.1 82 87 51 88 331 22.3 6.406 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1499 2296.2 3.2 scans 36% 204 m/z (333 355) 0.71% 0.0563% 1717 0.8 170 139905 0.0660% 1538613 1461048 1801573 0-1 18: 204 217 205 337 147 103 206 218 219 191 361 339 101 189 243 203 319 362 0.942 24.01 12.7 86 91 85 92 490 0.0 0.000 0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1499 2296.2 3.2 scans 29% 204 m/z (333) 0.69% 0.0465% 1717 0.8 155 144643 0.0545% 1270302 1206263 1487662 0-1 18: 204 217 205 337 147 103 206 218 219 191 361 339 101 189 243 203 319 362 0.870 24.18 -2.9 88 90 69 90 581 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1018 myo-Inositol 25.2179 2397.6 4.1 scans 63% TIC 0.87% 0.119% 1818 1.1 241 114139 0.243% 3253539 3253539 6633064 0-0 0.934 25.21 0.8 98 97 93 99 470 17.1 0.503 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6282 2438.1 3.2 scans 53% 91 m/z 0.61% 0.0511% 1857 1.4 164 162091 0.0653% 1395553 1320819 1782465 4-2 16: 91 117 194 207 92 115 193 65 312 208 104 51 118 116 179 63 0.980 25.61 1.8 97 97 96 97 312 20.4 1.543 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3079 2505.7 3.0 scans 60% 204 m/z 0.49% 0.0880% 1922 1.0 225 202864 2403951 1972864 23-0 9: 204 217 205 147 219 206 218 305 306 0.973 25.86 45.0 85 87 91 99 361 10.9 0.236 0.452 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5615 2531.9 2.8 scans 40% 512 m/z (218) 1.2% 0.0586% 1946 1.0 193 80558 1599991 1503949 1-1 17: 512 455 247 513 456 514 457 483 248 263 349 497 484 423 409 235 515 0.943 26.57 -1.2 93 95 84 96 512 61.4 10.182 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9393 2570.9 2.8 scans 93% 371 m/z 0.033% 1.53% 1982 0.7 993 3027296 41892313 41300695 1-0 20: 371 372 73 147 129 57 205 203 239 459 373 55 71 103 116 145 75 101 117 85 1.000 26.39 56.3 90 98 97 99 459 128.1 1.669 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN LQC1-N1014 Sucrose 27.4233 2621.6 2.8 scans 8.7% 361 m/z 3.3% 0.0117% 2028 1.1 86 29529 0.0157% 320748 256815 428556 1-15 8: 361 362 437 438 363 451 364 272 0.721 27.49 -7.1 87 90 66 91 437 18.9 4.872 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7364 2765.1 2.8 scans 94% 399 m/z 0.053% 0.997% 2153 0.7 793 1860934 27236677 27128255 1-0 20: 399 400 73 147 129 57 205 203 401 487 103 71 55 116 145 75 267 117 341 101 1.000 28.19 61.2 89 98 97 100 487 102.1 1.661 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN SQUALENE-N1017 Squalene STD 29.0868 2804.5 3.0 scans 37% 69 m/z (204) 0.92% 0.0426% 2186 1.2 157 107752 1164436 1085160 1-0 18: 69 81 136 137 68 95 121 93 123 67 109 82 135 70 94 53 341 162 0.968 29.09 -0.6 81 84 89 84 410 6.8 0.190 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1034 Nonacosane 29.5140 2852.5 3.4 scans 19% 57 m/z 2.9% 0.0134% 2227 0.9 98 33721 0.0209% 366770 337057 570498 1-4 9: 57 71 85 365 56 99 97 70 127 0.957 29.50 1.0 80 84 87 83 408 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8360 2888.7 3.1 scans 39% 57 m/z 1.3% 0.0404% 2257 1.5 152 74027 0.0417% 1104001 900547 1138267 2-6 13: 57 71 85 99 56 70 113 127 84 141 86 58 72 0.977 29.83 1.0 84 85 95 87 408 8.3 0.295 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1038 Hexacosanol 30.1832 2929.4 3.1 scans 9.6% 439 m/z 4.2% 0.00704% 2290 1.2 63 23630 0.00986% 192296 192296 269144 0-0 3: 439 440 441 0.822 30.17 1.3 95 98 72 98 439 39.9 39.932 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4252 2958.1 4.4 scans 64% 73 m/z (204) 0.56% 0.272% 2313 0.7 327 176315 7450698 6783067 2-1 20: 73 147 103 206 117 133 158 74 75 143 148 248 412 101 189 104 188 118 177 157 0.984 30.36 8.0 89 90 91 91 529 13.7 0.176 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4694 2963.3 3.2 scans 46% 57 m/z (73) 0.83% 0.0857% 2317 0.9 204 119739 0.100% 2341526 2051527 2729656 2-2 17: 57 71 56 85 393 55 392 99 83 394 70 97 113 127 84 365 58 0.971 30.46 0.7 94 95 96 98 393 46.8 5.279 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2186 3052.3 3.1 scans 75% 57 m/z 0.17% 0.375% 2389 0.9 459 587581 0.405% 10262233 9400966 11055107 2-3 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 421 394 155 98 0.988 31.21 0.8 99 99 99 100 393 69.4 2.291 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1048 Hentriacontane 31.5216 3088.3 4.1 scans 61% TIC 0.25% 0.370% 2417 0.6 373 384958 0.440% 10104554 7192454 12010486 8-2 0.989 31.53 -1.2 98 97 99 98 436 20.9 0.313 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6910 3108.4 7.4 scans 20% 204 m/z 1.2% 0.0182% 2433 1.3 132 78890 0.181% 499387 461821 4940677 0-4 14: 204 205 597 217 337 73 103 191 206 598 129 599 338 147 0.793 31.68 1.8 87 89 81 89 597 17.3 1.717 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8278 3124.7 3.2 scans 84% 502 m/z 0.061% 0.801% 2446 0.7 672 1617917 21879203 21879203 0-0 17: 502 237 503 73 236 238 504 57 277 221 71 223 208 239 74 505 193 0.995 31.79 4.3 100 99 97 100 502 330.6 24.201 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9604 3140.4 3.2 scans 86% 329 m/z 0.19% 1.00% 2459 0.7 746 516525 27421261 26546232 1-1 19: 329 129 368 353 458 95 75 330 107 121 119 145 81 105 328 369 57 93 55 0.996 31.87 11.0 97 95 95 98 458 111.5 2.232 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1182 3159.2 4.5 scans 59% TIC 0.18% 0.283% 2474 1.0 449 549834 1.18% 7726439 7726439 32209940 0-0 0.989 32.11 1.0 98 97 99 99 421 98.3 4.803 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1046 Stigmasterol 32.9883 3262.5 3.4 scans 80% 83 m/z 0.20% 0.859% 2557 0.8 699 480569 23469563 23401707 0-1 19: 83 129 55 255 394 484 69 81 75 133 159 119 105 145 107 351 93 355 95 0.992 32.98 0.7 96 95 98 97 665 16.8 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1072 3276.6 3.1 scans 76% 57 m/z 0.087% 0.715% 2568 0.8 650 1136493 19534966 18649661 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 86 72 0.989 33.10 1.2 91 89 97 95 515 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN WTF2-N1034 b-Sitosterol 33.4766 3320.5 3.6 scans 41% 357 m/z 0.88% 0.261% 2603 1.0 338 113045 0.303% 7133673 5791125 8270857 10-4 7: 357 396 486 381 358 356 487 0.978 32.88 71.2 84 96 94 97 486 49.0 2.094 0.600 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2257 3409.5 3.9 scans 11% 99 m/z 2.5% 0.0284% 2674 0.9 117 39007 775765 726269 3-1 6: 99 499 500 383 100 596 0.819 34.22 0.8 84 86 76 91 499 32.0 7.488 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5908 3452.8 3.7 scans 37% 596 m/z 0.37% 0.140% 2709 1.0 260 266986 3846042 3756604 1-2 16: 596 597 598 331 316 302 599 356 318 315 303 317 342 330 301 357 0.962 34.47 14.1 97 96 87 99 596 134.3 26.755 0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN EXBLK5S-N1006 Contamination 6.3617 1047.7 1.9 scans 79% 207 m/z 0.54% 0.0419% 26 1.3 198 182203 1168811 1098333 1-1 13: 207 73 295 208 209 296 191 297 279 193 189 177 210 0.998 6.63 -15.6 97 96 87 97 295 59.9 9.119 -0.263 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1192 Contamination 7.9452 1141.6 2.5 scans 97% 147 m/z 0.093% 0.523% 177 0.8 586 1067863 14591692 14389295 2-0 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 103 100 75 149 131 134 236 0.997 7.99 -2.6 99 97 97 98 235 119.6 4.161 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1188 Contamination 8.3009 1162.6 2.6 scans 59% 281 m/z 4.6% 0.00932% 210 1.6 74 21487 259957 248147 1-2 9: 281 369 282 283 370 265 371 207 249 0.910 8.41 -6.8 93 93 75 95 369 23.3 9.892 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1186 Phosphate 8.4787 1173.2 2.3 scans 95% 241 m/z 0.13% 0.172% 227 1.3 357 739010 4810792 4615859 1-2 20: 241 242 133 211 163 73 243 256 135 195 98 59 89 119 147 134 212 257 121 137 1.000 8.56 -4.8 100 99 99 100 299 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1180 Benzoic acid 9.6519 1242.2 3.0 scans 46% 179 m/z 7.1% 0.00579% 339 0.7 56 14074 161561 161561 1-0 6: 179 105 135 180 194 51 0.598 9.76 -6.3 89 90 74 90 194 9.2 2.686 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN VEN77_S6-N1002 Glycerol 10.0223 1263.9 5.1 scans 96% 299 m/z 0.012% 4.52% 374 0.3 1282 7746509 126169173 121574723 1-1 20: 299 73 300 314 283 207 315 211 193 191 74 135 75 225 59 115 284 119 134 208 1.000 10.09 -4.1 98 96 91 99 299 715.6 31.350 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LACTIC~1-N1034 Glycerol 10.0275 1264.2 4.2 scans 9.9% 147 m/z (299) 0.14% 0.389% 375 0.4 401 684708 10854394 10474147 1-1 20: 147 133 205 117 103 218 131 206 148 149 204 177 129 203 101 219 104 118 116 163 0.551 10.11 -4.8 83 95 58 94 293 28.7 0.510 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6504 1300.6 3.0 scans 70% 199 m/z 1.1% 0.0627% 434 0.9 189 83427 0.0700% 1749854 1555226 1951561 6-6 20: 199 75 73 117 145 132 200 129 131 74 118 61 76 81 79 155 72 116 96 54 0.887 10.73 -5.0 96 94 95 99 209 2.7 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9861 1320.8 2.7 scans 66% 184 m/z 4.0% 0.0112% 466 0.9 86 24967 0.0133% 314134 314134 370797 0-0 15: 184 134 285 174 86 100 77 185 227 59 135 286 172 186 110 0.993 11.06 -4.7 95 95 85 95 285 27.8 10.403 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3607 1343.4 3.4 scans 93% 57 m/z 0.43% 0.106% 501 0.8 233 228177 2966719 2879907 3-1 20: 57 115 97 145 127 55 69 129 56 59 111 128 109 58 72 83 87 71 98 146 0.999 11.45 -5.1 98 97 97 99 145 67.7 8.471 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN TAB_REP6-N1026 Malic acid 13.4471 1472.2 2.6 scans 95% TIC 0.26% 0.144% 700 1.0 312 370959 4023892 3939234 2-1 0.999 13.53 -5.4 99 98 97 98 335 38.2 1.499 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1044 Dodecanol 14.7119 1554.6 2.7 scans 92% TIC 0.44% 0.0773% 820 0.8 222 222509 2155442 2074395 2-1 1.000 14.24 31.2 97 98 98 99 243 121.3 29.898 0.470 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1766 1654.1 2.9 scans 81% 290 m/z 0.32% 0.0893% 959 1.8 217 304252 2489672 2379969 1-2 14: 290 291 292 158 392 144 131 293 115 393 100 172 200 160 0.965 16.28 -7.0 98 96 94 99 392 31.1 2.046 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5322 1678.8 2.8 scans 94% 55 m/z 0.27% 0.217% 993 1.0 360 359201 0.240% 6050465 5374655 6691067 8-4 20: 55 69 73 83 56 70 97 57 84 111 127 113 82 98 68 71 96 67 140 85 0.999 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1010 Glycerol-P 17.4602 1745.5 2.7 scans 97% 357 m/z 0.046% 1.72% 1081 0.7 1066 2132052 48151598 47000626 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 133 301 387 129 256 218 328 1.000 16.97 36.0 96 99 99 99 445 170.3 2.555 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5381 1751.2 2.6 scans 44% 217 m/z 2.9% 0.0119% 1088 1.1 90 34160 0.103% 334218 315165 2871583 0-1 9: 217 218 219 450 232 191 305 148 169 0.961 17.63 -6.8 81 81 66 83 450 13.5 2.225 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4156 1815.9 4.0 scans 91% 73 m/z (310) 0.029% 3.82% 1172 0.5 1299 3438500 106731769 103120343 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 134 58 77 133 213 66 90 0.999 17.91 37.7 94 99 98 99 327 124.4 0.918 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1012 Phytol 18.5461 1825.9 3.0 scans 97% 68 m/z 0.083% 1.45% 1184 0.6 918 1196940 1.59% 40458926 39279952 44328322 2-1 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 37.8 94 98 99 99 278 54.3 0.350 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1016 Hexadecene 18.6103 1830.8 2.7 scans 88% 70 m/z 0.34% 0.186% 1190 1.0 347 292942 1.10% 5190265 4971583 30667393 0-1 19: 70 69 55 57 71 83 56 111 125 126 97 84 280 85 67 140 112 82 98 0.987 18.10 38.4 85 86 94 97 280 51.9 2.239 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.7 scans 58% 285 m/z 1.5% 0.0364% 1193 1.0 157 64375 1015974 942749 2-1 15: 285 117 132 129 286 145 118 287 300 116 61 130 201 146 257 0.999 18.73 -6.9 95 95 82 95 300 16.1 1.057 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1002 Phytol 18.8min 18.8397 1848.3 2.7 scans 93% 81 m/z 0.50% 0.221% 1212 1.0 381 196890 6183206 5906828 1-4 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 278 56 110 0.997 18.84 -0.0 98 97 99 97 278 44.9 1.388 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1072 Fructose 18.9312 1855.2 2.7 scans 84% 73 m/z 0.50% 0.0939% 1221 0.9 253 197542 2618591 2549289 1-2 20: 73 103 217 307 147 308 277 218 133 104 309 74 189 205 364 117 89 148 172 219 0.992 19.03 -7.8 94 93 94 93 364 24.8 0.962 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1070 Fructose 19.0501 1864.3 2.8 scans 70% 73 m/z (81) 0.71% 0.0825% 1232 1.2 214 140137 0.149% 2300749 1947085 4154038 2-6 20: 73 103 307 217 147 308 218 277 309 205 89 104 262 74 364 133 148 219 189 117 0.990 19.19 -11.0 88 89 91 90 554 8.8 0.169 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0859 1867.0 2.9 scans 93% 81 m/z 0.25% 0.477% 1235 0.9 534 388260 13314453 13109901 1-1 20: 81 82 95 68 57 123 55 69 83 79 67 71 96 97 109 124 278 53 111 56 1.000 18.58 38.6 93 95 98 99 278 71.5 1.793 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN BRA4_R~2-N1004 Galactose 19.2521 1879.7 2.7 scans 80% 73 m/z 0.66% 0.0797% 1251 1.1 230 150337 0.146% 2224576 2224576 4070399 0-0 20: 73 319 205 160 147 320 217 103 321 206 229 74 117 133 161 207 157 189 148 291 0.995 19.36 -8.4 95 94 93 96 364 14.4 0.391 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1068 Galactopyranose 19.3268 1885.4 2.8 scans 63% 204 m/z 1.5% 0.0293% 1258 1.3 135 63192 0.0623% 817296 795239 1736890 1-2 8: 204 191 192 206 193 305 243 231 0.957 19.32 0.9 85 83 84 87 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9066 1931.2 2.8 scans 82% 204 m/z 0.26% 0.145% 1314 1.1 292 375684 4064726 3711092 3-2 17: 204 217 159 205 147 206 129 218 103 191 133 160 189 219 148 203 291 0.972 19.91 -0.5 96 94 93 98 361 13.0 0.198 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2675 1960.3 2.6 scans 50% 204 m/z 1.8% 0.0182% 1348 1.1 112 54094 509638 490482 1-1 9: 204 191 205 192 206 189 218 279 193 0.982 20.41 -11.7 87 87 86 87 217 25.4 5.131 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7831 2001.8 2.9 scans 94% TIC 0.19% 0.708% 1397 0.9 647 500986 0.732% 19763476 18122516 20407756 2-6 1.000 20.27 41.6 82 82 94 98 322 44.9 0.480 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1038 C16:0 21.1471 2032.4 3.6 scans 97% 313 m/z 0.028% 3.40% 1431 0.4 1276 3489907 94950991 92624761 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 315 201 69 74 269 285 1.000 20.62 44.1 94 99 99 100 328 147.4 1.335 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6511 2074.7 2.8 scans 32% 305 m/z 4.3% 0.0157% 1479 1.0 98 23173 438282 406412 2-3 14: 305 217 318 191 306 319 265 307 433 320 192 367 219 266 0.989 21.75 -8.2 86 86 72 87 507 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9531 2100.1 3.0 scans 80% TIC 0.64% 0.139% 1508 0.8 282 154469 0.259% 3893224 3354119 7220777 1-3 0.973 22.33 -32.9 95 97 96 99 342 34.6 1.510 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3877 2138.1 2.9 scans 25% 204 m/z 3.9% 0.00717% 1549 1.0 68 25586 0.0688% 200158 177090 1918106 4-2 4: 204 249 205 206 0.889 22.71 -28.4 85 88 79 89 518 0.0 0.000 -0.326 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1040 Phytol 22.6097 2157.4 3.4 scans 91% TIC 0.074% 0.479% 1570 1.1 483 1343123 0.536% 13356953 11778402 14943384 6-2 0.993 22.08 45.9 81 82 90 96 181 7.1 0.021 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1042 C18:2 23.0453 2195.5 >6 scans 70% 129 m/z (73) 0.15% 1.41% 1612 1.3 665 661409 9.06% 39413187 35629685 252587796 6-0 20: 129 117 74 145 149 143 155 130 192 183 218 111 201 179 215 57 119 59 374 134 0.993 22.53 44.7 82 88 94 97 352 37.8 0.323 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1810 2207.7 5.7 scans 93% 79 m/z 0.034% 8.92% 1625 0.2 1646 2879824 9.58% 248707527 223518835 267085109 0-9 20: 79 75 73 95 93 67 108 80 81 91 107 55 129 94 121 117 335 77 135 149 0.996 23.12 5.9 97 97 98 96 350 119.0 0.523 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1036 C18:0 23.4020 2227.9 2.7 scans 90% 341 m/z 0.10% 0.730% 1646 0.7 685 929523 0.733% 20373848 19702297 20435635 2-1 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 69 118 201 343 74 297 116 0.998 22.89 46.1 93 99 98 99 356 88.9 1.682 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7071 2255.8 2.8 scans 29% 163 m/z 0.64% 0.0479% 1675 1.1 170 155337 0.0505% 1335564 1248703 1407912 6-4 10: 163 331 164 165 88 332 90 60 179 313 0.842 23.72 -1.1 93 94 81 95 331 38.5 5.102 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1396 2295.3 3.2 scans 36% 204 m/z (98) 0.64% 0.0629% 1716 0.9 175 154413 0.0761% 1756206 1554577 2121626 1-15 15: 204 205 217 337 147 103 206 338 219 218 339 191 203 220 291 0.983 24.18 -3.8 90 91 87 92 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2659 2307.1 >4 scans 40% TIC 0.89% 0.0267% 1728 2.2 128 111910 0.137% 746251 536717 3819484 0-2 0.942 24.23 3.3 87 87 84 88 362 9.6 0.561 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1018 myo-Inositol 25.2086 2396.7 3.0 scans 44% 318 m/z 1.2% 0.0675% 1817 0.9 188 78098 0.0758% 1882724 1563740 2113262 14-4 16: 318 315 299 387 319 316 389 320 388 300 317 301 432 343 246 433 0.963 25.21 -0.1 96 95 91 97 470 14.0 0.554 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6190 2437.2 3.2 scans 42% 91 m/z 0.63% 0.0492% 1856 1.5 158 156943 1373287 1250011 3-4 16: 91 117 194 207 92 208 115 65 312 193 104 118 51 178 63 102 0.953 25.61 0.9 94 94 93 96 312 19.2 1.480 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2976 2504.6 2.9 scans 48% 204 m/z 0.52% 0.0848% 1921 1.0 211 191896 2366884 1688206 22-0 10: 204 217 205 219 206 218 305 220 306 293 0.968 25.86 43.9 86 89 92 98 361 12.3 0.341 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5533 2531.0 3.3 scans 60% TIC 0.36% 0.180% 1945 2.1 331 271361 0.401% 5020158 4899486 11179659 0-1 0.928 26.57 -2.1 98 98 91 99 512 105.2 10.107 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9269 2569.6 2.7 scans 88% 371 m/z 0.047% 1.03% 1981 0.7 824 2121154 28913131 28520021 1-0 19: 371 372 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 85 1.000 26.39 55.0 90 97 97 100 459 104.4 1.607 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1010 Sucrose 27.4130 2620.5 3.6 scans 25% 361 m/z (397) 0.72% 0.199% 2027 1.1 216 138407 0.255% 5563127 2373900 7109259 5-13 17: 361 362 437 217 363 451 438 271 439 319 243 452 218 364 453 272 148 0.938 27.58 -17.7 92 93 82 96 437 38.6 3.192 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN LQC1-N1014 Sucrose 27.4130 2620.5 3.6 scans 18% 361 m/z 0.70% 0.0979% 2027 1.1 185 141221 0.125% 2730596 1165201 3484931 5-13 17: 361 362 437 217 363 451 438 271 439 319 243 452 218 364 453 272 148 0.652 27.49 -8.2 95 97 78 97 437 38.3 4.267 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7230 2763.6 2.8 scans 86% 399 m/z 0.089% 0.575% 2151 0.8 606 1117674 16052320 15138247 1-1 20: 399 400 73 147 129 57 205 203 401 487 55 103 71 116 145 75 117 101 267 85 0.998 28.19 59.7 89 98 97 100 487 78.1 1.661 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN SQUALENE-N1017 Squalene STD 29.0765 2803.3 2.9 scans 33% 69 m/z 0.99% 0.0295% 2185 1.2 151 100671 823316 783796 1-0 16: 69 81 136 137 68 121 93 107 123 149 82 135 53 94 122 341 0.956 29.09 -1.8 80 82 90 81 410 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1034 Nonacosane 29.4963 2850.5 >3 scans 32% TIC 1.8% 0.00797% 2225 2.3 136 53837 0.146% 222389 222389 4070399 0-0 0.947 29.50 -1.0 82 82 91 91 408 0.0 0.000 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1038 Hexacosanol 30.1729 2928.1 2.8 scans 3.7% 439 m/z 6.7% 0.00326% 2289 1.0 45 14770 0.00557% 91072 91072 155289 0-0 3: 439 440 441 0.787 30.17 0.0 93 97 54 97 439 31.2 48.897 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4180 2957.3 2.9 scans 52% 193 m/z (204) 0.67% 0.150% 2312 1.1 294 148515 4196887 4073532 1-1 15: 193 119 105 163 120 194 176 91 515 171 247 325 106 158 516 0.975 30.36 7.2 89 91 90 92 529 12.8 0.189 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4601 2962.2 3.0 scans 41% 57 m/z (193) 0.80% 0.0853% 2316 0.8 199 124963 0.115% 2380418 1994231 3206136 4-3 15: 57 71 56 393 85 392 99 394 70 113 127 141 58 84 365 0.962 30.46 -0.4 94 95 96 98 393 46.1 5.352 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2061 3050.8 2.9 scans 63% 57 m/z 0.28% 0.185% 2387 1.1 348 349045 0.200% 5168875 4780028 5575890 2-2 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 141 84 394 421 392 98 0.986 31.21 -0.7 98 97 98 99 393 52.7 2.291 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1048 Hentriacontane 31.5081 3086.7 3.0 scans 46% 57 m/z 0.39% 0.130% 2416 1.1 293 255906 3630425 3289219 5-10 17: 57 71 85 55 99 83 56 113 70 127 84 141 98 155 112 58 86 0.993 31.53 -2.8 97 96 98 97 436 16.3 0.310 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6796 3107.1 4.0 scans 19% 204 m/z 1.1% 0.0206% 2432 1.3 138 83492 0.139% 574525 531557 3875243 0-2 16: 204 205 597 73 337 217 598 129 361 103 206 147 338 599 191 309 0.743 31.68 0.5 88 90 83 89 597 18.2 1.727 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8091 3122.5 2.9 scans 58% 502 m/z 0.23% 0.189% 2445 0.8 337 429607 5273857 5046397 1-1 13: 502 237 503 236 504 238 277 221 467 505 223 239 262 0.972 31.79 2.1 99 98 94 99 502 168.5 25.060 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9437 3138.4 3.1 scans 77% 329 m/z 0.32% 0.575% 2457 0.8 574 311651 16055205 15541242 1-0 17: 329 129 368 458 353 75 95 330 121 107 119 105 328 145 369 93 159 0.995 31.87 9.0 96 95 95 99 458 85.5 2.222 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1058 3157.7 2.8 scans 43% 57 m/z 0.27% 0.177% 2473 1.0 350 365202 0.232% 4953340 4797392 6468032 3-1 17: 57 71 85 56 421 99 83 97 70 420 422 113 127 141 84 58 393 0.980 32.11 -0.5 98 98 98 99 421 81.5 5.407 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1004 Campesterol 32.7739 3237.0 3.7 scans 30% 343 m/z (386) 1.2% 0.154% 2536 1.0 266 81035 0.162% 4307662 4150380 4516471 0-1 11: 343 382 472 367 383 344 342 473 255 457 368 0.922 32.21 66.9 81 95 83 96 472 42.1 2.512 0.564 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1046 Stigmasterol 32.9696 3260.3 3.2 scans 80% 73 m/z (309) 0.22% 1.01% 2555 1.0 743 447407 28292495 28058910 0-2 19: 73 57 143 295 74 296 651 281 650 342 56 441 59 487 263 72 219 381 385 0.990 32.98 -1.5 95 95 97 99 665 9.6 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.0927 3274.9 3.1 scans 67% 57 m/z 0.13% 0.445% 2567 0.9 529 753846 12411073 11819403 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 72 0.988 33.10 -0.5 81 76 94 94 515 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN WTF2-N1034 b-Sitosterol 33.4663 3319.3 3.4 scans 49% 357 m/z 0.69% 0.274% 2602 0.9 377 143618 7650088 7267400 1-1 9: 357 396 486 381 358 397 356 487 255 0.981 32.88 70.0 84 96 95 98 486 54.8 2.112 0.589 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5862 3333.5 3.5 scans 28% 386 m/z 2.7% 0.134% 2614 0.9 242 36204 0.182% 3756546 3213435 5074059 4-9 5: 386 296 387 371 256 0.824 33.58 0.2 81 81 82 88 505 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8861 3369.1 3.2 scans 6.2% 441 m/z 1.8% 0.0130% 2642 1.0 85 53977 364818 364818 0-1 5: 441 442 646 647 443 0.852 33.80 10.7 93 94 65 95 646 16.7 3.861 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5795 3451.5 3.7 scans 19% 596 m/z 0.58% 0.119% 2708 0.9 235 169547 3322636 3155106 1-2 11: 596 597 598 316 599 315 302 356 303 300 330 0.869 34.47 12.8 95 94 66 99 596 105.9 20.212 0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 2.8 scans 73% 207 m/z 0.72% 0.0479% 27 2.0 167 137469 1204228 1196984 0-2 14: 207 73 295 208 209 296 191 297 279 193 247 192 189 210 0.986 6.63 -15.1 97 96 87 97 295 51.4 9.518 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1192 Contamination 7.9429 1141.4 2.6 scans 95% 147 m/z 0.10% 0.556% 176 0.8 566 982366 13979773 13103979 1-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.998 7.99 -2.8 98 97 97 98 235 116.2 4.225 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1026 Cadaverine NC 8.1292 1152.5 2.9 scans 56% 174 m/z 4.3% 0.00718% 194 1.5 63 22836 180511 175989 0-1 10: 174 216 175 142 86 100 176 113 160 130 0.980 7.74 23.3 93 93 84 95 216 15.8 6.307 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1188 Contamination 8.3122 1163.3 3.9 scans 33% 281 m/z 5.8% 0.00878% 212 1.8 59 17151 220534 220534 0-1 9: 281 369 282 283 370 265 371 207 197 0.598 8.41 -6.1 89 90 61 92 369 20.7 12.189 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1186 Phosphate 8.4764 1173.1 2.3 scans 95% 241 m/z 0.14% 0.166% 227 1.2 340 678523 4192905 4030059 1-1 20: 241 242 133 211 163 73 256 243 195 135 98 59 89 119 137 257 212 181 134 121 0.999 8.56 -4.9 100 99 99 100 299 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN VEN77_S6-N1002 Glycerol 10.0168 1263.5 4.8 scans 96% 299 m/z 0.013% 4.31% 374 0.4 1231 7479319 108419899 107965111 1-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 135 316 74 302 75 225 131 59 0.997 10.09 -4.5 98 96 91 99 299 698.3 32.321 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6492 1300.6 2.9 scans 59% 199 m/z (69) 1.1% 0.0680% 434 0.9 183 87600 1709553 1569067 7-1 20: 199 75 117 73 145 129 132 200 131 74 118 76 61 79 201 155 130 107 133 119 0.955 10.73 -5.0 96 98 92 99 209 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9827 1320.6 2.7 scans 68% 184 m/z 3.8% 0.0142% 465 1.0 90 25819 0.0147% 357148 342333 369096 2-1 16: 184 134 285 174 77 86 227 100 185 286 59 130 135 110 175 186 0.984 11.06 -4.9 96 96 87 96 285 29.1 10.455 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3605 1343.4 3.6 scans 89% TIC 0.41% 0.131% 501 0.9 236 239391 0.171% 3295078 3057947 4293563 1-0 0.983 11.45 -5.1 98 97 97 99 145 68.3 8.381 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1146 Malic acid 13.4459 1472.1 2.6 scans 92% 73 m/z 0.37% 0.118% 699 1.1 265 265399 2977393 2953370 2-0 20: 73 147 233 245 189 133 190 148 74 175 191 75 101 335 149 55 234 59 217 246 0.999 13.62 -10.7 98 97 96 97 350 0.0 0.000 -0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1044 Dodecanol 14.7107 1554.5 2.7 scans 91% TIC 0.42% 0.0925% 820 0.8 225 236453 2322894 2245792 3-1 0.986 14.24 31.1 97 99 97 99 243 124.2 30.437 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1753 1654.1 3.0 scans 83% 290 m/z 0.31% 0.114% 959 2.0 221 319828 2866961 2542534 1-4 16: 290 291 73 292 392 158 144 131 393 115 293 59 100 130 200 172 0.966 16.28 -7.0 98 97 95 99 392 32.6 2.168 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5310 1678.7 2.7 scans 93% 55 m/z 0.28% 0.243% 993 1.1 350 348780 0.271% 6106520 5156692 6804418 9-3 20: 55 69 73 83 97 56 70 57 84 111 82 113 127 98 68 71 67 96 140 85 1.000 16.63 -6.7 99 98 99 98 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1010 Glycerol-P 17.4590 1745.4 2.5 scans 97% 357 m/z 0.049% 1.70% 1081 0.7 1028 2024413 42889314 42486982 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 256 387 129 218 328 0.998 16.97 35.9 96 99 99 99 445 166.2 2.616 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN TAB_REP6-N1048 Citric acid 18.2229 1801.2 2.6 scans 40% 273 m/z 4.4% 0.0114% 1153 1.1 81 22440 286554 286554 1-0 11: 273 274 363 347 375 211 364 221 376 257 348 0.770 18.24 -1.6 87 86 61 93 465 12.8 2.460 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4134 1815.7 3.9 scans 95% TIC 0.028% 4.31% 1172 0.5 1304 3541000 108329967 107740840 0-2 0.993 17.91 37.5 96 99 98 99 327 124.8 0.917 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1012 Phytol 18.5417 1825.5 2.8 scans 97% 68 m/z 0.10% 1.14% 1184 0.7 792 909599 1.28% 28792277 28489878 32138949 1-0 20: 68 95 82 123 69 55 57 81 83 67 97 71 96 109 124 111 79 56 137 70 1.000 18.04 37.4 95 98 99 99 278 46.7 0.347 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1016 Hexadecene 18.6080 1830.6 2.6 scans 89% 70 m/z 0.41% 0.166% 1190 1.1 316 238098 1.03% 4169408 3988436 25861810 0-1 20: 70 69 57 55 71 83 56 111 125 97 126 280 84 85 140 67 112 98 82 68 0.994 18.10 38.2 86 86 93 97 280 46.6 2.181 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6375 1832.8 2.7 scans 64% 285 m/z (70) 1.7% 0.0439% 1193 1.0 149 57872 0.519% 1102540 931521 13031339 13-4 15: 285 117 132 129 145 286 287 131 118 201 300 116 61 241 130 0.963 18.73 -6.9 94 96 88 96 300 14.7 0.972 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8384 1848.2 2.7 scans 92% 81 m/z 0.65% 0.184% 1212 1.1 332 153845 4635925 4375432 1-4 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 109 124 97 53 278 111 110 0.995 18.58 19.8 98 96 98 99 278 39.1 1.389 0.259 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9310 1855.2 2.7 scans 79% 73 m/z 0.88% 0.0569% 1221 0.9 186 112747 0.0581% 1430130 1410376 1458807 2-1 20: 73 103 307 217 147 308 277 218 309 189 205 104 133 364 74 89 117 172 148 173 0.996 18.40 40.2 93 97 97 99 364 17.6 0.899 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1018 Fructose 19.0499 1864.3 2.8 scans 57% 73 m/z 1.1% 0.0473% 1232 1.2 161 85484 0.0978% 1187690 993849 2455617 2-5 19: 73 103 307 217 147 308 218 277 309 104 205 74 89 262 219 364 133 189 148 0.989 18.52 40.0 89 92 93 96 364 16.3 1.028 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1064 Mannose 19.2509 1879.6 2.8 scans 74% 73 m/z 0.91% 0.0654% 1251 0.9 195 109101 0.113% 1643144 1469208 2837267 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 74 229 148 133 89 161 189 207 157 0.998 19.45 -15.6 94 93 91 93 319 72.7 13.946 -0.204 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN BRA4_R~2-N1004 Galactose 19.2509 1879.6 2.8 scans 73% 73 m/z (57) 0.93% 0.0710% 1251 0.9 194 106946 0.123% 1784777 1595848 3088352 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 74 229 148 133 89 161 189 207 157 0.998 19.36 -8.5 93 94 92 96 364 12.9 0.447 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1068 Galactopyranose 19.3267 1885.4 2.8 scans 62% 204 m/z 1.7% 0.0288% 1258 1.3 126 56615 0.0593% 723759 690749 1488937 1-2 8: 204 191 192 206 193 305 219 243 0.965 19.32 0.9 85 84 86 86 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9043 1931.1 2.7 scans 81% 204 m/z 0.27% 0.154% 1313 1.2 287 366515 3876920 3368006 12-2 17: 204 217 159 205 147 206 129 117 103 218 189 191 133 160 291 148 219 1.000 19.91 -0.6 96 93 95 99 361 13.8 0.231 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2663 1960.2 2.7 scans 47% 204 m/z 2.0% 0.0165% 1348 1.1 100 48270 415799 414746 1-0 8: 204 191 205 217 192 189 218 193 0.983 20.41 -11.8 86 86 84 86 217 24.5 6.049 -0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7787 2001.4 3.0 scans 92% TIC 0.25% 0.640% 1396 1.0 560 385166 0.754% 16080457 14394644 18931850 2-13 0.993 20.27 41.2 83 83 94 97 322 39.1 0.486 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1038 C16:0 21.1427 2032.0 3.4 scans 97% 313 m/z 0.029% 3.44% 1431 0.5 1266 3404084 86388692 85959290 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 57 118 133 69 74 315 201 269 116 1.000 20.62 43.7 94 99 99 100 328 144.9 1.311 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1042 myo-Inositol 21.6499 2074.6 2.8 scans 35% 305 m/z (73) 5.4% 0.0164% 1479 1.0 95 18282 413219 376240 3-1 16: 305 217 318 191 306 265 319 218 307 291 367 433 432 320 219 192 0.955 21.77 -10.5 85 85 82 93 318 26.9 8.003 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6499 2074.6 2.8 scans 29% 305 m/z 5.0% 0.0131% 1479 1.0 88 19830 330704 301110 3-1 16: 305 217 318 191 306 265 319 218 307 291 367 433 432 320 219 192 0.980 21.75 -8.3 85 86 69 86 507 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9519 2100.0 2.9 scans 83% TIC 0.57% 0.164% 1508 0.8 298 173313 0.244% 4133823 3730260 6126487 0-2 0.980 22.33 -33.0 95 97 95 99 342 37.4 1.575 -0.378 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1042 C18:2 23.0525 2196.1 >6 scans 53% 337 m/z (204) 0.23% 1.17% 1612 1.3 542 425255 4.95% 29495630 28513815 124287341 4-0 20: 337 75 81 262 338 82 96 95 220 55 150 110 178 126 136 135 124 97 123 138 0.950 22.53 45.3 83 92 87 94 352 37.8 0.487 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1703 2206.7 4.9 scans 93% 79 m/z 0.036% 8.12% 1624 0.2 1587 2742043 9.10% 204103401 180554477 228487840 0-10 20: 79 75 73 95 93 67 108 81 80 91 129 107 335 55 94 121 135 149 117 77 0.996 23.12 4.9 98 97 99 97 350 115.3 0.528 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1036 C18:0 23.4008 2227.8 2.9 scans 91% 341 m/z 0.10% 0.849% 1646 0.7 675 924429 0.857% 21325206 20498065 21518031 3-0 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 343 69 201 74 297 116 0.998 22.89 46.0 93 99 98 99 356 87.9 1.696 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7080 2255.9 2.9 scans 29% 163 m/z 0.64% 0.0513% 1675 0.9 165 154323 1290219 1176536 2-10 9: 163 331 164 165 88 332 90 313 60 0.821 23.72 -1.0 93 94 81 95 331 38.2 5.372 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1384 2295.2 3.2 scans 31% 204 m/z (333) 0.74% 0.0585% 1716 0.8 156 133892 0.0730% 1468987 1228024 1832924 1-11 19: 204 205 217 337 147 103 206 219 338 218 191 361 203 101 148 243 231 362 220 0.974 24.01 11.7 88 90 83 91 490 0.0 0.000 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1384 2295.2 3.2 scans 35% 204 m/z 0.76% 0.0587% 1716 0.8 165 130873 0.0733% 1474884 1232954 1840457 1-11 19: 204 205 217 337 147 103 206 219 338 218 191 361 203 101 148 243 231 362 220 0.772 24.18 -3.9 88 89 83 91 581 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2267 2303.4 3.2 scans 42% 143 m/z 0.53% 0.0448% 1724 1.2 156 187875 0.0773% 1125127 1069765 1940891 2-0 8: 143 144 156 170 272 219 155 362 0.882 24.23 -0.4 90 91 83 92 362 11.4 0.534 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1018 myo-Inositol 25.2074 2396.6 3.0 scans 49% 318 m/z 1.6% 0.0511% 1817 0.9 165 61023 0.0565% 1283357 1260443 1418633 0-3 16: 318 315 299 387 319 316 389 320 300 317 388 301 343 432 230 433 0.964 25.21 -0.2 95 95 90 96 470 12.2 0.549 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6220 2437.5 3.3 scans 53% 91 m/z 0.67% 0.0524% 1857 1.2 154 148853 0.0640% 1317878 1251933 1606947 4-3 18: 91 117 194 207 92 115 208 65 193 312 104 51 118 178 102 179 63 89 0.978 25.61 1.2 97 97 95 97 312 18.7 1.472 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2964 2504.5 3.1 scans 49% 204 m/z 0.62% 0.0773% 1921 1.0 192 159548 1941424 1478868 21-0 9: 204 217 205 219 206 218 305 101 220 0.960 25.86 43.8 86 88 91 99 361 11.1 0.336 0.440 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5532 2531.0 3.3 scans 63% TIC 0.36% 0.210% 1945 2.0 336 276842 0.530% 5288109 5288109 13307534 0-0 0.927 26.57 -2.1 99 98 91 99 512 107.2 10.158 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9277 2569.7 2.6 scans 91% 371 m/z 0.038% 1.36% 1981 0.7 902 2587945 34304125 33725302 1-0 20: 371 372 73 147 129 57 205 203 239 373 459 55 103 71 116 145 75 117 101 85 1.000 26.39 55.1 90 97 97 99 459 115.0 1.631 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN LQC1-N1014 Sucrose 27.4117 2620.4 2.9 scans 23% 361 m/z 1.0% 0.0412% 2027 1.0 154 95039 1035550 976923 0-4 12: 361 362 437 363 271 438 451 439 452 364 272 453 0.795 27.49 -8.3 96 96 79 96 437 32.8 4.531 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7217 2763.4 2.9 scans 91% 399 m/z 0.070% 0.839% 2151 0.9 684 1421938 21071534 20767861 1-1 20: 399 400 73 147 129 57 205 203 401 103 55 487 71 116 145 75 101 267 117 85 0.999 28.19 59.5 89 98 98 100 487 87.4 1.633 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN SQUALENE-N1017 Squalene STD 29.0774 2803.4 >3 scans 38% TIC 1.2% 0.0121% 2185 1.7 136 81151 0.0283% 305986 305986 710572 0-0 0.963 29.09 -1.7 81 82 89 81 410 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8255 2887.6 2.9 scans 37% 57 m/z 1.4% 0.0378% 2256 1.6 144 69287 950391 715987 5-7 16: 57 71 85 99 56 113 70 84 127 141 98 86 168 58 140 72 0.975 29.83 -0.1 88 89 95 89 408 8.1 0.321 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1038 Hexacosanol 30.1716 2928.0 2.9 scans 9.4% 439 m/z 4.1% 0.00705% 2289 1.0 62 23945 0.00982% 177087 161873 246566 0-1 3: 439 440 441 0.742 30.17 -0.1 95 98 71 98 439 39.5 40.268 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4200 2957.5 2.8 scans 61% 193 m/z (57) 0.56% 0.199% 2313 1.0 319 176121 5017191 4621127 7-1 13: 193 119 105 163 120 91 194 176 247 171 515 325 106 0.989 30.36 7.4 90 91 93 93 529 14.1 0.196 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4579 2962.0 3.1 scans 42% 57 m/z (193) 0.99% 0.0790% 2316 0.8 181 100579 0.0876% 1985909 1687412 2199509 3-4 15: 57 71 56 393 85 392 394 99 70 113 58 84 364 365 141 0.971 30.46 -0.6 94 95 96 97 393 41.9 5.382 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2039 3050.6 3.0 scans 66% 57 m/z 0.27% 0.243% 2387 1.0 354 365629 0.267% 6119868 5221574 6703984 25-2 19: 57 71 85 55 99 56 69 393 83 97 113 70 127 141 84 421 394 392 98 0.979 31.21 -0.9 98 98 99 99 393 54.2 2.351 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1048 Hentriacontane 31.5079 3086.7 2.9 scans 61% 57 m/z 0.25% 0.215% 2416 1.1 358 387239 5406418 5103436 5-4 19: 57 71 85 55 99 69 83 56 97 113 70 127 84 141 98 112 155 58 140 0.995 31.53 -2.8 98 97 99 98 436 19.8 0.306 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6774 3106.8 3.8 scans 21% 204 m/z 1.2% 0.0225% 2432 1.3 133 82486 0.163% 565757 537536 4092694 0-2 12: 204 205 597 337 217 598 206 103 338 361 599 147 0.876 31.68 0.2 88 90 83 89 597 17.8 1.804 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8089 3122.4 3.0 scans 71% 502 m/z 0.13% 0.366% 2445 0.9 440 731163 9209277 8873293 1-1 16: 502 237 503 73 236 238 504 467 277 221 223 208 74 239 505 468 0.982 31.79 2.0 98 97 95 100 502 218.3 24.640 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9404 3138.1 3.4 scans 77% TIC 0.35% 0.549% 2457 0.9 537 278769 13785062 12868526 2-0 0.986 31.87 8.7 96 95 95 98 458 79.4 2.188 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1056 3157.7 3.0 scans 50% 57 m/z 0.21% 0.268% 2473 0.9 397 469046 0.360% 6747879 6495568 9039079 3-1 20: 57 71 85 56 421 55 99 69 83 70 97 420 422 113 127 111 84 141 58 393 0.981 32.11 -0.5 98 98 99 99 421 91.0 5.260 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.6306 3220.0 >5 scans 22% TIC 1.0% 0.0310% 2523 1.5 216 95097 0.225% 778463 778463 5649425 0-0 0.915 32.71 -9.9 87 86 85 93 457 47.7 4.867 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1046 Stigmasterol 32.9705 3260.4 3.1 scans 51% 83 m/z (309) 0.32% 0.596% 2555 1.2 524 308411 14975357 14243536 1-2 20: 83 129 55 255 69 484 394 75 81 133 159 119 105 351 145 107 93 143 95 485 0.944 32.98 -1.4 95 97 94 98 665 9.3 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1041 3276.3 3.1 scans 81% 57 m/z 0.065% 1.06% 2568 0.6 745 1520627 26701724 25989246 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 126 82 0.978 33.10 0.9 88 83 97 96 515 7.7 0.011 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8859 3369.1 3.3 scans 13% 441 m/z 0.76% 0.0405% 2642 1.0 137 130475 1018600 953538 1-1 7: 441 442 646 308 443 647 329 0.804 33.80 10.7 95 96 72 96 646 27.0 3.896 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N476_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5783 3451.3 3.7 scans 13% 596 m/z 0.85% 0.0460% 2708 0.9 140 116474 1155546 1155438 0-1 11: 596 597 598 316 599 302 303 300 288 330 370 0.981 34.47 12.6 95 95 76 97 596 87.1 38.831 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN EXBLK5S-N1006 Contamination 6.3605 1047.6 3.0 scans 26% 207 m/z 2.9% 0.00501% 26 2.4 62 35887 0.00526% 235754 235754 247108 0-0 7: 207 295 208 209 191 296 297 0.915 6.63 -15.7 88 88 59 89 295 23.6 14.331 -0.265 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN LQC1-N1192 Contamination 7.9588 1142.4 2.6 scans 97% 73 m/z 0.083% 0.353% 178 0.7 583 1288202 16600383 16118906 2-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 75 103 100 149 131 134 221 1.000 7.99 -1.8 100 98 99 99 235 114.6 3.873 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN LQC1-N1186 Phosphate 8.4933 1174.1 2.2 scans 97% TIC 0.058% 0.244% 229 0.9 528 1842454 11508088 11133537 1-1 1.000 8.56 -3.9 100 99 99 100 299 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN LQC1-N1180 Benzoic acid 9.6591 1242.6 3.4 scans 48% 179 m/z 5.4% 0.00645% 339 0.6 65 19657 303013 282085 2-1 6: 179 135 180 136 194 51 0.907 9.76 -5.9 91 91 73 92 194 8.6 1.748 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN LACTIC~1-N1034 Glycerol 10.0400 1264.9 6.2 scans 6.1% 147 m/z (299 71) 0.22% 0.183% 376 0.6 286 471402 8628760 8626920 1-0 20: 147 205 302 103 75 117 218 59 148 206 177 149 204 213 129 267 89 132 104 219 0.525 10.11 -4.1 81 95 58 92 293 17.6 0.379 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN VEN77_S6-N1002 Glycerol 10.0442 1265.1 6.8 scans 97% TIC 0.014% 3.28% 376 0.5 1142 7365929 154202311 153103934 1-0 1.000 10.09 -2.9 98 97 93 99 299 642.1 31.768 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN LQC1-N1174 Proline 10.4335 1287.9 4.3 scans 78% TIC 1.1% 0.0145% 413 0.8 98 95807 0.0823% 685499 681201 3866347 0-1 0.981 10.55 -6.5 95 95 91 95 142 73.2 55.535 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6598 1301.2 3.5 scans 74% TIC 1.3% 0.0417% 435 0.9 166 78063 0.0517% 1959090 1735976 2428799 3-1 0.850 10.73 -4.4 97 95 94 99 209 5.2 0.000 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9933 1321.3 2.9 scans 61% 184 m/z 4.7% 0.00654% 466 0.8 75 22581 0.00789% 307267 285159 370662 3-1 13: 184 134 285 174 100 86 77 227 59 185 286 172 135 0.973 11.06 -4.2 92 92 84 92 285 23.5 9.750 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3679 1343.8 3.6 scans 82% 57 m/z 0.49% 0.0569% 502 0.8 200 218083 0.0620% 2675849 2642088 2912679 2-1 19: 57 115 97 145 127 69 55 129 56 59 111 128 58 109 72 87 83 146 98 0.954 11.45 -4.7 98 97 97 99 145 55.8 7.783 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2614 1524.7 2.7 scans 48% 263 m/z 1.3% 0.0110% 777 1.1 104 80887 517907 503089 1-1 11: 263 264 278 447 265 175 239 279 448 128 207 0.922 14.33 -4.3 85 80 81 97 278 25.6 6.110 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1044 Dodecanol 14.7149 1554.8 2.6 scans 62% 243 m/z 2.2% 0.00960% 820 1.0 98 46921 451365 451365 0-0 9: 243 244 89 97 101 61 245 111 115 0.986 14.24 31.4 93 95 88 97 243 51.2 27.216 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1010 Glycerol-P 17.4780 1746.8 2.8 scans 97% 299 m/z 0.037% 1.53% 1083 0.5 1161 2886302 72320851 70373298 1-1 20: 299 357 73 315 358 147 300 370 445 211 359 301 103 101 256 129 133 387 218 328 0.998 16.97 37.3 96 99 98 99 445 179.8 2.400 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4271 1816.8 4.3 scans 94% 73 m/z 0.038% 2.07% 1173 0.5 1104 2780179 97331056 94974346 1-2 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 66 118 133 90 213 77 121 0.994 17.91 38.6 95 99 98 100 327 102.5 0.863 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1012 Phytol 18.5786 1828.3 4.5 scans 97% 68 m/z 0.043% 2.57% 1187 0.3 1215 2440909 2.75% 120751034 117748950 129191414 3-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 110 70 1.000 18.04 40.2 94 98 99 99 278 72.4 0.356 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1016 Hexadecene 18.6259 1832.0 2.6 scans 75% 70 m/z 0.28% 0.136% 1192 1.4 363 379784 1.64% 6412844 6256895 77045062 0-1 20: 70 69 57 71 55 56 83 111 125 126 84 280 97 85 140 112 67 98 82 127 0.993 18.10 39.6 87 89 94 97 280 50.0 1.894 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6470 1833.6 2.5 scans 76% 285 m/z (70) 0.39% 0.107% 1194 1.0 321 268083 5070598 4928068 1-1 20: 285 117 73 75 132 129 145 286 131 118 74 287 133 300 201 116 61 130 241 76 0.988 18.73 -6.1 96 97 91 98 300 28.7 0.803 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.6 scans 91% 81 m/z 0.41% 0.175% 1213 1.0 413 260256 8234449 7548388 2-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 56 264 53 111 0.997 18.84 0.7 97 95 98 98 278 43.9 1.131 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9427 1856.1 3.4 scans 63% TIC 1.4% 0.0206% 1222 1.7 133 71410 0.149% 970120 887755 6999826 0-1 0.948 18.40 41.1 90 94 90 97 364 12.0 0.820 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1018 Fructose 19.0594 1865.0 3.2 scans 31% 73 m/z 1.4% 0.0213% 1233 1.2 125 72924 0.0306% 1001949 851444 1437548 1-6 18: 73 103 307 217 147 308 218 277 364 309 104 219 205 89 262 74 133 148 0.942 18.52 40.7 83 88 86 93 364 11.2 0.791 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0931 1867.6 2.8 scans 95% 81 m/z 0.20% 0.363% 1236 0.9 576 526797 17088362 16701131 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 56 53 0.999 18.58 39.2 93 95 98 99 278 74.4 1.668 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN BRA4_R~2-N1004 Galactose 19.2625 1880.5 3.0 scans 50% TIC 3.0% 0.00680% 1252 1.0 97 35305 0.231% 319757 319757 10852079 0-0 0.943 19.36 -7.6 91 90 80 91 364 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7756 2001.1 3.1 scans 84% TIC 0.80% 0.103% 1396 1.6 294 133332 0.124% 4869385 4538715 5825358 1-0 0.967 20.27 40.9 84 86 95 97 322 16.9 0.331 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1038 C16:0 21.1481 2032.4 3.4 scans 97% 313 m/z 0.038% 1.63% 1432 0.4 1086 2810720 76607028 74964944 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 69 315 201 269 74 285 1.000 20.62 44.1 94 99 99 100 328 122.0 1.263 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6584 2075.3 2.8 scans 60% 73 m/z 1.1% 0.0365% 1480 0.9 179 90900 0.0428% 1714829 1507312 2010688 7-2 20: 73 305 217 318 147 191 346 306 319 265 204 218 307 433 367 432 347 320 291 219 0.988 21.75 -7.6 84 83 84 84 507 10.0 0.316 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2718 2127.9 >4 scans 61% TIC 1.4% 0.0277% 1538 1.0 178 71795 0.137% 1301638 1301638 6436081 0-0 0.953 22.33 -5.1 97 97 93 97 342 19.3 1.178 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1040 Phytol 22.6159 2158.0 3.1 scans 93% TIC 0.051% 0.372% 1571 0.9 563 2073994 0.742% 17485504 17411626 34858192 0-1 1.000 22.08 46.5 81 82 90 96 181 0.0 0.000 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1042 C18:2 23.0473 2195.7 4.5 scans 25% 337 m/z (73 341) 0.57% 0.210% 1612 1.1 349 185574 2.03% 9874192 9617927 95366753 1-0 20: 337 81 67 55 95 82 79 96 338 54 68 150 69 80 220 110 93 121 94 136 0.818 22.53 44.9 81 94 81 95 352 21.8 0.391 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1546 2205.3 4.6 scans 93% 75 m/z 0.057% 2.47% 1622 0.4 1205 1860945 2.99% 116140938 112913996 140466301 0-4 20: 75 73 79 95 67 93 108 129 117 81 55 80 91 107 94 121 77 149 135 145 0.985 23.12 3.5 99 98 99 99 350 81.4 0.456 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2567 2214.6 3.3 scans 88% TIC 0.26% 0.328% 1632 0.7 506 406634 4.50% 15453092 15453092 211404132 0-0 0.995 23.26 -0.0 100 100 100 100 379 32.1 0.403 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3356 2221.8 3.1 scans 72% 148 m/z 0.18% 0.134% 1639 1.1 341 569118 0.227% 6323317 6323317 10664164 0-0 18: 148 95 149 286 133 108 161 147 162 178 122 163 105 135 109 287 361 134 0.907 23.34 0.0 100 100 100 100 286 52.6 2.377 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1036 C18:0 23.4071 2228.3 2.9 scans 52% 341 m/z 0.12% 0.377% 1646 1.0 573 880893 0.384% 17737356 17030832 18039819 1-1 17: 341 117 132 129 145 342 356 57 133 118 343 131 201 297 357 313 116 0.741 22.89 46.5 91 98 76 98 356 78.7 1.888 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1006 17-Methyltestosterone 23.8775 2271.3 3.0 scans 95% 143 m/z 0.036% 1.49% 1691 0.6 1103 2934455 70030110 68098917 1-1 20: 143 73 293 345 117 360 75 144 147 169 265 407 69 81 130 331 257 74 119 361 1.000 23.88 0.0 100 100 100 100 450 26.2 0.056 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9732 2280.1 2.9 scans 56% 143 m/z 0.62% 0.0426% 1700 0.9 228 171158 1.08% 2002862 2002862 50736992 0-0 16: 143 73 168 155 360 181 270 144 169 156 265 205 345 361 74 195 0.956 23.97 -0.0 100 100 100 100 360 39.1 2.951 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0363 2285.9 3.0 scans 60% 143 m/z 0.41% 0.106% 1706 1.1 314 255664 1.21% 4981831 4583397 56844222 0-2 19: 143 73 293 147 409 265 115 294 424 130 144 201 286 183 217 74 319 292 230 0.818 24.04 -0.0 100 100 100 100 424 32.7 1.086 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1773 2298.8 3.4 scans 70% 143 m/z 0.32% 0.148% 1719 0.8 348 331901 0.173% 6996760 6996760 8127314 0-0 15: 143 73 156 181 144 168 265 205 157 360 195 74 345 169 182 0.948 24.18 -0.0 100 100 100 100 450 9.7 0.078 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1018 myo-Inositol 25.2232 2398.1 2.8 scans 60% 318 m/z 0.25% 0.190% 1819 1.0 378 417928 0.198% 8929850 7021267 9301782 19-1 18: 318 315 299 147 319 387 316 320 217 389 300 317 388 432 301 433 148 343 0.884 25.21 1.3 95 94 81 99 470 28.8 0.580 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2800 2403.7 4.0 scans 75% TIC 0.18% 0.361% 1824 1.2 496 569210 0.624% 16978859 14928945 29314706 0-4 0.940 25.28 -0.0 97 96 97 98 464 11.0 0.049 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1022 Steroid 25.47min 2422 25.4863 2424.1 2.9 scans 91% TIC 0.097% 0.641% 1844 0.8 755 1092012 0.659% 30123571 28640546 30958961 2-1 0.999 25.47 1.9 85 77 81 100 374 106.3 1.985 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6178 2437.1 3.2 scans 57% 91 m/z 0.24% 0.0816% 1856 1.2 247 432604 3835557 3312235 1-8 20: 91 117 207 194 92 115 208 193 65 312 77 104 103 118 78 51 116 102 63 128 0.980 25.61 0.8 94 92 96 97 312 27.5 1.242 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4080 2516.0 3.1 scans 69% TIC 0.10% 0.206% 1931 1.0 466 1067743 0.417% 9692779 9692779 19590116 0-0 0.899 26.35 6.0 93 92 93 93 495 68.9 2.186 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5606 2531.8 2.9 scans 13% 512 m/z 2.3% 0.0197% 1946 0.9 133 44658 926484 917020 1-0 14: 512 455 247 513 456 514 483 457 349 497 423 409 264 350 0.737 26.57 -1.3 86 86 45 90 512 50.0 14.044 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9394 2570.9 2.8 scans 77% 371 m/z 0.063% 0.540% 1982 0.7 699 1676961 0.583% 25385327 23899528 27388580 2-3 15: 371 372 147 129 205 203 239 55 459 103 373 116 101 133 131 0.973 26.39 56.3 89 97 96 99 459 84.5 1.462 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6422 2645.0 3.5 scans 69% 99 m/z 0.058% 0.871% 2049 0.6 829 1833841 1.94% 40939987 40939987 91138670 0-0 18: 99 71 214 189 205 270 147 145 215 296 173 186 287 142 368 227 187 100 0.932 27.64 -0.0 100 100 100 100 632 34.5 0.173 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0621 2689.8 3.0 scans 74% 57 m/z 0.10% 0.426% 2089 0.8 590 980499 0.624% 20026653 18687173 29314706 2-5 18: 57 71 85 55 97 333 69 56 113 83 70 127 84 111 141 98 334 112 0.993 28.06 -0.0 100 100 100 100 542 7.8 0.017 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1020 Contamination 28.25min 28.2535 2710.7 3.2 scans 69% 175 m/z 0.095% 0.330% 2107 1.0 527 1121116 3.28% 15523654 15158777 154090123 1-0 18: 175 99 71 176 173 187 117 100 133 177 189 138 89 57 273 296 72 145 0.981 28.25 0.0 100 100 100 100 602 25.7 0.237 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.4103 2728.4 3.4 scans 62% 99 m/z 0.048% 1.02% 2122 0.8 832 2201613 2.33% 48177334 29151639 109460362 0-5 20: 99 71 189 173 283 171 103 73 145 385 187 117 184 273 185 75 287 196 170 286 0.977 28.41 -0.0 100 100 100 100 603 32.0 0.148 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5513 2744.2 3.1 scans 85% 99 m/z 0.037% 0.898% 2135 0.6 850 2868846 3.31% 42218524 41979381 155499484 0-1 20: 99 85 57 71 81 173 100 255 269 97 241 159 185 98 242 169 283 75 69 341 0.995 28.55 0.0 100 100 100 100 559 33.1 0.152 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6860 2759.4 2.8 scans 76% 99 m/z 0.060% 0.430% 2148 0.9 651 1778107 0.561% 20230365 19696641 26355048 1-0 19: 99 71 189 173 103 283 171 75 145 100 185 187 385 184 169 117 81 155 273 0.985 28.69 -0.0 100 100 100 100 603 18.0 0.077 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7449 2766.0 2.9 scans 61% 399 m/z 0.11% 0.332% 2153 0.8 531 930119 0.380% 15607777 15291439 17851905 0-1 12: 399 400 147 129 205 203 103 401 487 116 101 267 0.908 28.19 62.1 86 95 90 99 487 65.1 1.503 0.552 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN SQUALENE-N1017 Squalene STD 29.0974 2805.7 >4 scans 61% TIC 0.21% 0.0810% 2187 1.4 326 500690 2.08% 3807953 3807953 97715688 0-0 0.989 29.09 0.6 85 80 95 95 410 13.7 0.175 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1032 Sterol 29.17min 2814 29.2331 2820.9 5.1 scans 93% TIC 0.013% 2.86% 2200 0.4 1183 7770355 3.10% 134489351 122328995 145633958 0-11 0.998 29.17 7.2 93 88 95 99 355 107.1 0.826 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1034 Nonacosane 29.5246 2853.7 3.0 scans 50% 57 m/z (97) 0.17% 0.216% 2228 1.1 416 599897 0.248% 10161355 9879910 11650717 1-0 20: 57 71 85 55 69 56 365 83 113 70 127 111 84 141 393 366 364 58 72 155 0.957 29.50 2.2 81 79 88 96 408 13.3 0.103 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8445 2889.7 2.8 scans 73% 57 m/z 0.18% 0.176% 2258 0.9 401 585166 0.182% 8287072 7701090 8550123 1-6 19: 57 71 85 55 69 83 56 70 113 127 84 111 141 98 58 112 86 72 155 0.960 29.83 2.0 85 79 90 99 408 22.4 0.312 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1038 Hexacosanol 30.1854 2929.6 3.1 scans 47% 439 m/z 0.53% 0.0498% 2290 1.0 205 198418 0.0515% 2342240 2277672 2419403 1-1 7: 439 440 103 441 89 61 442 0.980 30.17 1.5 100 100 97 100 439 105.4 26.396 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4779 2964.4 3.0 scans 81% 57 m/z 0.10% 0.309% 2318 0.8 516 986577 0.325% 14554800 14167726 15268076 3-1 20: 57 71 85 56 393 55 69 83 99 97 70 113 392 394 127 111 84 141 58 155 0.993 30.46 1.8 98 96 99 100 393 111.5 4.662 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2292 3053.6 3.2 scans 87% 57 m/z 0.070% 0.575% 2390 0.7 664 1526009 0.616% 27018271 26083989 28938877 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 421 155 98 394 0.995 31.21 2.1 99 98 100 100 393 96.2 2.101 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1048 Hentriacontane 31.5480 3091.4 3.2 scans 90% 57 m/z 0.041% 0.975% 2420 0.5 867 2565242 45818866 44811249 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 169 82 0.996 31.53 1.9 100 99 100 100 436 47.9 0.305 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8415 3126.3 3.1 scans 90% 502 m/z 0.036% 0.953% 2448 0.6 880 2955521 44788110 42617908 1-1 20: 502 237 73 503 236 238 504 57 277 221 223 69 208 239 55 71 74 505 81 193 0.999 31.79 5.9 100 99 98 100 502 406.7 21.428 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9573 3140.1 3.1 scans 81% 129 m/z 0.32% 0.330% 2459 0.7 531 330838 15506565 15009202 1-0 19: 129 329 368 458 353 95 75 119 107 81 57 121 105 145 330 55 328 91 93 0.997 31.87 10.7 96 95 95 98 458 74.7 1.977 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1267 3160.2 3.0 scans 74% 57 m/z 0.087% 0.403% 2475 0.7 589 1226380 18949800 17529110 2-1 20: 57 71 85 56 421 55 69 83 97 70 99 113 420 422 111 127 84 141 58 155 0.984 32.11 2.0 97 95 99 99 421 126.8 4.639 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3266 3183.9 2.9 scans 55% 57 m/z 0.15% 0.217% 2494 0.9 441 681090 0.277% 10222545 9451576 13013099 7-2 19: 57 71 85 55 99 83 97 56 113 70 127 84 111 141 98 58 112 155 82 0.958 32.33 0.0 100 100 100 100 785 6.8 0.024 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1046 Stigmasterol 33.0084 3264.9 4.1 scans 85% TIC 0.092% 1.51% 2559 0.3 965 1157277 4.03% 71319637 71319637 189324145 0-0 0.986 32.98 3.1 95 95 96 96 665 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1115 3277.1 3.7 scans 67% 57 m/z 0.087% 0.472% 2568 0.6 587 1219140 0.591% 22182809 21424147 27764409 1-0 19: 57 71 85 55 69 83 97 113 56 70 111 127 84 141 98 155 112 82 125 0.963 33.10 1.7 81 78 91 91 515 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3777 3308.8 3.8 scans 90% TIC 0.056% 1.98% 2594 0.5 1157 1898728 93276816 85454585 2-1 0.999 33.38 -0.1 100 100 100 100 529 190.0 2.698 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN WTF2-N1034 b-Sitosterol 33.4872 3321.8 >4 scans 74% TIC 0.21% 0.413% 2604 0.9 620 492522 4.83% 19443570 19443570 226907102 0-0 0.993 32.88 72.5 83 95 93 96 486 85.8 1.917 0.610 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5945 3334.5 3.5 scans 25% 386 m/z (85) 1.5% 0.108% 2614 0.9 254 69253 0.174% 5101593 4437015 8174293 4-6 5: 386 296 387 379 388 0.961 33.58 1.2 83 85 77 88 505 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7544 3353.5 4.1 scans 88% 217 m/z 0.081% 1.43% 2630 0.6 933 1318682 3.62% 67426414 63620664 170062880 0-5 20: 217 99 85 485 361 73 169 218 57 71 486 362 147 109 103 243 219 271 129 363 0.997 33.75 -0.0 100 100 100 100 485 220.5 5.592 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2911 3417.2 7.3 scans 90% TIC 0.025% 4.81% 2681 0.2 1275 4176716 226273477 195546728 3-19 0.999 34.22 8.5 96 93 94 98 499 297.9 5.474 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP1.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.5920 3453.0 3.9 scans 59% 596 m/z (97) 0.21% 0.421% 2709 1.0 501 490853 0.477% 19805645 17931029 22408838 4-6 11: 596 497 597 361 498 598 98 362 331 319 316 0.987 34.59 -0.0 99 100 100 100 596 132.0 6.934 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 >2 scans 68% TIC 0.72% 0.0122% 27 1.1 155 148736 0.259% 667322 667322 14107014 0-0 0.991 6.63 -15.0 96 95 80 96 295 49.3 10.098 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1192 Contamination 8.0146 1145.7 2.7 scans 94% 73 m/z 0.085% 0.352% 183 0.7 582 1253547 19185925 17089048 5-1 20: 73 147 133 235 220 148 59 146 72 86 74 89 160 100 149 103 75 131 134 221 0.994 7.99 1.5 99 98 97 99 235 118.3 4.128 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1188 Contamination 8.3103 1163.2 2.3 scans 65% 281 m/z 3.4% 0.00620% 211 1.1 87 31386 337680 318168 2-1 12: 281 147 369 282 283 370 207 265 148 371 249 149 0.904 8.41 -6.2 94 93 73 96 369 25.8 8.706 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1186 Phosphate 8.5386 1176.7 2.1 scans 96% 241 m/z 0.11% 0.100% 233 1.2 373 959716 5495041 5495041 0-0 20: 241 242 133 211 73 163 256 243 135 195 98 59 89 119 137 212 147 257 181 164 1.000 8.56 -1.3 100 100 99 100 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN VEN77_S6-N1002 Glycerol 10.0759 1267.0 6.4 scans 98% TIC 0.014% 2.66% 379 0.3 1128 7430815 144888623 142197904 1-1 1.000 10.09 -1.0 99 97 93 99 299 641.7 32.574 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6830 1302.6 3.1 scans 71% 199 m/z 1.4% 0.0340% 437 0.7 172 75629 1857120 1658973 6-1 14: 199 75 117 145 132 131 200 129 118 61 76 201 96 72 0.807 10.73 -3.0 93 91 87 99 209 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0165 1322.7 2.8 scans 71% 184 m/z 2.7% 0.0115% 469 0.9 109 38974 0.0119% 630183 626769 648160 1-0 16: 184 134 285 174 86 77 100 185 227 286 59 186 172 135 130 175 0.984 11.06 -2.8 96 96 88 97 285 32.0 8.636 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3879 1345.0 5.4 scans 84% TIC 0.62% 0.0614% 504 0.6 185 172933 0.0883% 3349062 3172760 4809457 2-0 0.972 11.45 -3.5 98 96 97 99 145 52.8 8.192 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN TAB_REP6-N1026 Malic acid 13.4639 1473.2 2.5 scans 66% 73 m/z 1.3% 0.0146% 701 0.9 132 77718 798190 716998 3-2 19: 73 147 233 245 189 148 190 133 175 101 191 74 234 335 149 55 171 307 98 0.872 13.53 -4.4 90 90 87 90 335 15.6 1.407 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9595 1504.7 2.7 scans 45% 156 m/z 2.2% 0.00559% 748 1.1 76 48820 304697 300763 3-0 5: 156 258 157 230 158 0.926 14.11 -10.0 91 90 86 94 273 0.0 0.000 -0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5687 1545.1 2.7 scans 58% 73 m/z 1.9% 0.0138% 806 1.2 120 55669 0.0151% 755546 641643 822455 1-2 19: 73 292 147 220 205 293 217 117 103 221 294 148 206 149 319 102 133 74 143 0.957 14.62 -3.5 87 85 83 91 409 5.6 0.220 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1044 Dodecanol 14.7244 1555.4 2.7 scans 54% 243 m/z 2.1% 0.00843% 821 1.0 97 49555 459397 457946 1-0 10: 243 244 89 97 101 245 61 111 76 115 0.940 14.24 32.0 92 94 85 97 243 52.4 29.415 0.482 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1902 1655.1 2.9 scans 41% 290 m/z (143) 1.3% 0.0148% 960 1.9 113 82084 807794 807794 0-0 4: 290 291 292 392 0.926 16.28 -6.0 84 82 69 97 392 14.8 1.722 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1010 Glycerol-P 17.4812 1747.0 2.7 scans 97% 357 m/z 0.039% 1.16% 1083 0.6 1121 2699420 63521978 62967930 1-0 20: 357 299 73 147 358 315 300 370 445 211 359 101 103 301 133 129 256 387 218 131 0.998 16.97 37.5 96 99 99 99 445 172.4 2.367 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4356 1817.4 4.2 scans 94% TIC 0.033% 1.97% 1174 0.5 1153 3183315 4.05% 107710112 101767786 220592301 1-4 0.993 17.91 39.2 95 99 98 100 327 109.5 0.904 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1012 Phytol 18.5839 1828.7 3.8 scans 96% 68 m/z 0.043% 1.94% 1188 0.3 1221 2466832 2.00% 105804317 101271800 108934469 2-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 85 70 1.000 18.04 40.6 94 98 99 99 278 73.2 0.359 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1016 Hexadecene 18.6313 1832.4 2.5 scans 72% 70 m/z 0.35% 0.0885% 1192 1.3 308 306839 0.840% 4822108 4532770 45752477 0-1 15: 70 69 71 57 83 56 111 125 126 84 97 280 85 140 112 0.981 18.10 40.0 81 82 90 94 280 47.0 2.323 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6534 1834.0 2.7 scans 61% 285 m/z (70) 0.46% 0.0810% 1194 1.1 287 228971 0.0828% 4412158 4266042 4509887 1-1 20: 285 117 73 75 132 129 286 145 131 118 74 201 287 300 133 116 61 241 130 76 0.940 18.73 -5.7 96 98 87 98 300 27.0 0.885 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1002 Phytol 18.8min 18.8564 1849.5 2.7 scans 88% 82 m/z (185) 0.51% 0.135% 1214 1.1 368 207623 7397078 7076059 1-4 20: 82 81 68 95 57 123 55 69 83 79 67 71 96 124 97 109 278 111 56 110 0.997 18.84 1.2 95 96 98 99 278 42.0 1.304 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1072 Fructose 18.9459 1856.4 2.7 scans 82% 73 m/z 0.43% 0.0671% 1222 1.1 258 245458 0.0715% 3654780 3218925 3894407 11-1 20: 73 103 307 217 147 308 277 133 218 74 104 309 189 205 117 364 89 219 148 172 0.987 19.03 -6.6 94 94 94 94 364 24.3 0.887 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1070 Fructose 19.0658 1865.5 3.1 scans 54% 73 m/z (81) 0.59% 0.0615% 1234 1.3 221 181384 0.0956% 3351802 2961452 5207068 1-9 20: 73 103 307 217 147 308 277 218 309 205 104 262 74 364 89 133 219 117 148 189 0.926 19.19 -9.8 88 90 91 91 554 8.3 0.141 -0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1005 1868.2 2.8 scans 92% 81 m/z 0.24% 0.259% 1237 0.8 521 442939 14113294 13658452 1-2 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.997 18.58 39.8 93 96 98 99 278 68.0 1.706 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN BRA4_R~2-N1004 Galactose 19.2678 1880.9 2.9 scans 76% TIC 0.66% 0.0404% 1253 1.0 218 161789 0.325% 2201809 2201809 17701851 0-0 0.973 19.36 -7.2 96 94 92 97 364 13.3 0.371 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1038 C16:0 21.1628 2033.7 3.8 scans 96% 313 m/z 0.028% 1.98% 1433 0.4 1242 3731132 108157283 103966737 1-2 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 269 116 1.000 20.62 45.4 94 99 99 100 328 142.3 1.314 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6679 2076.1 2.9 scans 72% 305 m/z 0.61% 0.0724% 1481 1.1 269 176072 3946273 3788771 2-1 18: 305 217 147 318 191 306 319 265 204 218 307 346 432 320 291 433 367 192 0.994 21.75 -6.8 95 94 93 94 507 16.8 0.390 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN GUANINE-N1026 Guanine 3TMS STD 22.0278 2106.6 8.0 scans 10% 352 m/z 5.5% 0.00627% 1515 2.6 48 19335 0.00659% 341665 341665 358939 0-0 3: 352 353 354 0.490 22.05 -1.8 83 85 52 92 367 18.7 15.145 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2897 2129.5 3.6 scans 43% 327 m/z (204) 1.6% 0.0379% 1540 1.6 164 63947 2069210 1871658 4-2 7: 327 132 328 342 283 299 343 0.959 22.33 -3.5 94 96 91 97 342 19.5 1.404 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1873 2208.3 5.9 scans 97% 129 m/z 0.043% 3.76% 1625 0.3 1401 2479687 6.14% 204800336 201524378 334428821 0-1 20: 129 55 117 145 69 68 123 82 76 83 116 97 54 130 72 185 137 201 111 151 0.993 23.12 6.5 98 97 99 97 350 99.0 0.500 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2704 2215.9 3.8 scans 69% 258 m/z 0.39% 0.273% 1633 2.2 429 275035 0.958% 14892936 14892936 52179611 0-0 12: 258 143 348 265 259 349 305 138 115 134 120 144 0.954 23.26 1.3 98 99 94 98 379 29.2 0.464 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3514 2223.3 3.9 scans 52% 148 m/z (349) 0.35% 0.0918% 1641 1.6 260 300143 0.143% 5005074 4988692 7788815 1-0 8: 148 286 149 161 162 178 287 361 0.981 23.34 1.5 88 88 83 94 286 39.3 2.284 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1036 C18:0 23.4219 2229.7 3.4 scans 56% 341 m/z 0.10% 0.512% 1648 1.1 645 1006826 27891436 24464219 1-2 19: 341 117 132 75 129 145 342 356 57 133 131 118 343 201 297 83 116 313 130 0.896 22.89 47.9 91 98 89 98 356 84.7 1.721 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1006 17-Methyltestosterone 23.8902 2272.5 3.6 scans 92% 143 m/z 0.038% 1.40% 1692 0.6 1065 2757514 76566588 72383547 1-2 20: 143 73 345 360 293 117 75 144 147 407 331 265 69 169 81 130 361 333 346 74 0.999 23.88 1.2 100 100 100 100 450 25.8 0.059 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9870 2281.3 2.9 scans 55% 143 m/z 0.47% 0.0448% 1701 1.0 257 224952 1.06% 2442671 2442671 57735269 0-0 18: 143 73 168 155 360 181 144 270 169 265 156 361 69 205 345 195 74 147 0.974 23.97 1.2 97 95 93 99 360 43.6 2.881 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0511 2287.2 3.7 scans 57% 143 m/z 0.45% 0.0985% 1707 1.5 300 235552 1.13% 5366900 5366900 61547975 0-0 20: 143 73 293 147 409 294 265 115 424 144 286 130 201 183 285 334 410 230 319 299 0.784 24.04 1.3 98 98 93 100 424 31.8 1.125 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1921 2300.1 3.5 scans 70% 143 m/z 0.26% 0.205% 1721 1.0 386 398872 11210178 9124405 1-4 15: 143 73 156 181 144 168 265 205 360 157 195 345 183 169 182 0.935 24.18 1.3 95 93 96 99 450 11.5 0.089 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1018 myo-Inositol 25.2317 2398.9 >4 scans 74% TIC 0.28% 0.194% 1820 0.8 409 377859 0.630% 10610604 10610604 34314358 0-0 0.987 25.21 2.1 95 93 94 100 470 27.4 0.451 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.4968 2425.1 3.5 scans 76% 143 m/z (369) 0.11% 0.538% 1845 1.1 646 925755 0.541% 29321200 27557587 29466774 1-2 20: 143 73 182 169 195 75 374 196 183 144 170 81 69 265 95 55 147 109 74 269 0.986 25.28 21.4 93 94 95 97 464 28.0 0.188 0.217 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4186 2517.1 3.6 scans 71% 204 m/z 0.066% 0.371% 1932 1.0 544 1623348 0.384% 20247473 19296431 20915418 1-2 13: 204 205 217 495 206 496 363 130 129 273 231 218 319 0.986 26.35 7.1 92 91 92 91 495 83.8 2.380 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5743 2533.2 3.6 scans 13% 512 m/z 2.6% 0.0238% 1947 1.5 137 40166 1301421 1229849 1-1 14: 512 455 247 513 456 514 483 457 349 484 497 423 409 309 0.609 26.57 0.1 83 84 43 88 512 47.2 11.871 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9510 2572.1 3.7 scans 79% TIC 0.057% 0.599% 1983 1.1 713 1857523 0.984% 32634351 29372323 53595759 0-2 0.985 26.39 57.5 90 98 96 99 459 88.8 1.551 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1008 Sucrose 27.4487 2624.3 3.3 scans 46% 361 m/z (449) 0.30% 0.215% 2030 1.1 411 351521 0.215% 11717008 10678688 11710455 9-7 12: 361 217 362 437 363 271 438 218 439 364 453 320 0.950 27.59 -15.2 80 77 73 93 437 57.1 1.934 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1014 Sucrose 27.4487 2624.3 3.3 scans 26% 361 m/z (449 397) 0.30% 0.122% 2030 1.1 309 350536 0.122% 6647614 6058526 6645003 9-7 12: 361 217 362 437 363 271 438 218 439 364 453 320 0.829 27.49 -4.4 88 91 76 95 437 57.2 3.413 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN LQC1-N1010 Sucrose 27.4487 2624.3 3.3 scans 35% 361 m/z 0.26% 0.154% 2030 1.1 358 408459 0.155% 8437368 7689678 8442421 9-7 12: 361 217 362 437 363 271 438 218 439 364 453 320 0.689 27.58 -13.9 94 95 87 97 437 57.3 2.561 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6402 2644.7 4.2 scans 54% 99 m/z (175) 0.10% 0.514% 2049 0.9 614 988294 1.28% 28034276 28034276 69718060 0-0 20: 99 71 214 189 205 145 173 186 296 287 142 100 368 544 103 187 227 190 240 113 0.993 27.64 -0.3 95 96 94 99 632 27.6 0.202 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0695 2690.6 3.4 scans 65% 57 m/z (344) 0.16% 0.335% 2089 1.0 515 671471 0.415% 18294306 17191275 22603902 1-3 16: 57 71 85 55 56 113 83 70 127 84 111 141 98 58 112 86 0.988 28.06 0.8 94 95 98 98 542 6.5 0.016 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1020 Contamination 28.25min 28.2599 2711.5 >4 scans 50% 175 m/z (331) 0.16% 0.241% 2107 1.5 399 634969 1.99% 13141333 12284669 108389797 1-0 19: 175 99 71 176 187 173 117 100 177 138 89 296 273 133 431 72 174 473 217 0.989 28.25 0.8 90 90 95 96 602 20.2 0.256 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.4041 2727.7 3.6 scans 66% 99 m/z 0.057% 0.608% 2121 1.3 723 1875380 1.66% 33123733 30494625 90415610 0-3 20: 99 71 189 173 283 171 103 73 385 145 117 184 187 273 185 75 286 170 287 100 0.980 28.41 -0.7 98 97 97 99 603 27.5 0.144 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5493 2744.0 3.4 scans 78% 99 m/z 0.051% 0.612% 2135 0.8 723 2072417 1.96% 33370884 31893163 106755780 0-2 20: 99 85 57 71 81 173 255 100 269 241 97 242 283 98 185 159 169 341 243 109 0.992 28.55 -0.2 95 93 98 99 559 29.5 0.167 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6934 2760.2 3.7 scans 58% 99 m/z 0.11% 0.220% 2148 1.3 438 925739 0.301% 11986088 11461307 16394638 1-0 18: 99 71 189 173 283 171 103 100 185 145 385 184 169 187 117 155 170 273 0.970 28.69 0.8 98 97 91 97 603 13.6 0.096 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7524 2766.9 3.7 scans 75% TIC 0.088% 0.443% 2154 1.2 623 1216019 0.650% 24130460 23450352 35403703 0-1 0.956 28.19 63.0 86 96 94 99 487 75.0 1.449 0.559 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1032 Sterol 29.17min 2814 29.2300 2820.6 4.7 scans 89% 99 m/z 0.015% 1.91% 2200 0.5 1076 6749805 104290154 91270784 8-4 20: 99 71 81 100 283 97 185 256 269 98 356 75 57 109 69 169 257 73 355 241 0.999 29.17 6.9 92 87 95 99 355 98.5 0.845 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8519 2890.5 3.4 scans 58% 57 m/z 0.31% 0.112% 2259 1.1 306 339402 0.114% 6129971 5144144 6209265 3-9 19: 57 71 85 55 83 56 70 113 84 127 111 141 98 112 58 155 86 72 126 0.977 29.83 2.8 89 85 95 99 408 17.9 0.343 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1038 Hexacosanol 30.1960 2930.9 3.3 scans 38% 439 m/z 0.54% 0.0436% 2291 1.2 193 196951 0.0453% 2376027 2290239 2467366 0-1 7: 439 440 441 89 442 61 423 0.964 30.17 2.8 100 99 94 100 439 104.5 29.363 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4864 2965.4 3.1 scans 69% 57 m/z (292) 0.16% 0.210% 2319 0.9 422 652609 11488931 10371564 8-1 20: 57 71 85 56 393 55 69 83 99 97 70 113 392 394 127 111 141 84 58 155 0.991 30.46 2.8 95 95 98 100 393 93.2 4.867 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2303 3053.7 3.4 scans 81% 57 m/z 0.099% 0.355% 2390 0.9 561 1083972 0.375% 19343331 19276524 20425213 0-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 421 98 155 394 0.995 31.21 2.2 98 96 99 99 393 84.0 2.243 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1048 Hentriacontane 31.5417 3090.7 3.4 scans 84% 57 m/z 0.066% 0.556% 2419 0.7 687 1618501 30326273 28860774 1-4 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 72 0.996 31.53 1.2 99 98 100 99 436 38.5 0.315 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8395 3126.1 3.2 scans 83% 502 m/z 0.058% 0.505% 2448 0.7 670 1845992 27530476 26735344 1-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 239 74 505 193 0.988 31.79 5.7 100 99 97 100 502 319.8 22.812 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9626 3140.7 3.5 scans 73% 329 m/z 0.37% 0.282% 2459 1.1 484 285197 15385618 14518848 1-1 16: 329 129 368 353 458 95 330 119 107 105 121 145 328 369 159 91 0.987 31.87 11.3 96 95 94 98 458 70.3 2.110 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1278 3160.3 3.3 scans 57% 57 m/z (241 501) 0.14% 0.245% 2475 1.0 460 729494 0.301% 13352160 12727033 16394638 2-1 20: 57 71 85 56 421 55 69 83 97 70 422 420 113 111 127 84 141 58 155 72 0.974 32.11 2.1 91 94 97 99 421 103.3 5.047 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3288 3184.2 3.2 scans 45% 57 m/z 0.25% 0.123% 2494 1.2 348 425029 0.149% 6735844 6450088 8115618 2-2 19: 57 71 85 55 99 83 56 97 113 70 127 111 84 141 98 155 112 72 58 0.889 32.33 0.3 88 94 96 96 785 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5645 3212.2 3.8 scans 44% 457 m/z 0.85% 0.138% 2516 1.6 295 125101 0.168% 7517523 6132321 9150495 2-8 6: 457 458 481 132 496 482 0.876 32.71 -17.7 81 77 65 92 457 68.4 5.376 -0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1046 Stigmasterol 33.0095 3265.0 7.5 scans 83% TIC 0.10% 0.997% 2559 0.6 929 1059674 4.21% 54315034 54315034 229307058 0-0 0.997 32.98 3.2 95 94 95 95 665 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1063 3276.5 4.3 scans 55% 85 m/z (217) 0.10% 0.404% 2568 0.8 540 986487 0.639% 22011617 21998230 34804563 1-0 19: 85 97 127 86 72 225 253 309 139 365 322 308 153 378 128 380 392 142 457 0.969 33.10 1.1 82 81 95 93 515 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3988 3311.3 5.3 scans 88% 217 m/z 0.048% 2.78% 2596 0.5 1256 2237492 151753248 145186374 2-0 20: 217 361 99 189 199 73 437 71 529 362 287 169 218 103 173 438 147 363 271 530 0.998 33.38 2.4 100 99 99 99 529 208.6 2.759 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN WTF2-N1034 b-Sitosterol 33.4978 3323.0 >4 scans 64% TIC 0.25% 0.280% 2605 1.0 577 418879 5.68% 15278111 15278111 309373893 0-0 0.997 32.88 73.7 81 94 91 96 486 80.7 1.958 0.621 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6093 3336.3 3.8 scans 20% 386 m/z (99) 0.88% 0.114% 2616 1.0 275 121333 0.149% 6246671 5301864 8115618 6-9 2: 386 296 0.899 33.58 3.0 80 82 68 88 505 0.0 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7724 3355.6 4.7 scans 91% 218 m/z 0.048% 2.10% 2631 0.6 1146 2200802 4.97% 114384312 113018503 270702156 0-3 17: 218 189 364 450 149 527 437 175 528 327 438 274 454 161 323 573 177 0.982 33.75 2.1 100 99 97 99 485 287.0 6.277 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2837 3416.4 10.5 scans 91% 499 m/z 0.023% 5.62% 2680 1.2 1317 4492632 306548915 290996224 3-3 8: 499 501 453 437 502 297 386 116 0.998 34.22 7.7 96 94 94 98 499 314.0 5.695 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6141 3455.6 4.1 scans 28% 97 m/z (497) 0.051% 0.280% 2711 0.8 427 2102518 15277907 14215476 2-2 15: 97 596 98 597 96 363 598 331 171 499 316 381 302 272 315 0.886 34.47 16.9 81 78 17 97 596 119.7 7.879 0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP2.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.6183 3456.1 4.5 scans 75% 497 m/z 0.050% 0.724% 2712 0.8 698 2135121 0.888% 39447008 37357936 48366904 5-3 14: 497 217 361 498 362 218 319 271 363 451 230 219 450 243 0.933 34.59 3.1 87 85 58 90 596 118.4 2.884 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN EXBLK5S-N1006 Contamination 6.3712 1048.3 2.5 scans 47% 207 m/z (102) 1.1% 0.0138% 27 2.3 114 89313 834929 659791 1-13 11: 207 295 208 209 296 191 297 279 189 193 177 0.960 6.63 -15.0 92 94 78 94 295 38.9 11.733 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8601 1136.5 11.0 scans 48% TIC 3.1% 0.00448% 169 0.8 72 33555 0.00961% 269605 248226 578383 0-1 0.945 7.79 3.9 88 87 84 93 219 7.9 1.184 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1192 Contamination 8.0210 1146.1 2.6 scans 94% 147 m/z 0.15% 0.169% 184 0.7 435 697113 10183759 9637572 4-1 19: 147 73 133 235 220 59 148 146 72 86 74 89 160 100 103 149 131 134 221 0.991 7.99 1.9 99 99 97 99 235 88.5 4.135 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1188 Contamination 8.3272 1164.2 4.8 scans 68% 281 m/z 2.8% 0.0132% 213 2.2 95 37447 796609 794670 0-2 10: 281 147 369 282 283 265 371 207 249 148 0.946 8.41 -5.2 95 95 75 97 369 27.5 8.430 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1186 Phosphate 8.5471 1177.2 2.4 scans 93% TIC 0.13% 0.0967% 234 1.5 341 797111 0.148% 5821057 5821057 8907452 0-0 0.999 8.56 -0.8 100 99 97 99 299 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN VEN77_S6-N1002 Glycerol 10.0781 1267.1 7.3 scans 98% 73 m/z 0.012% 3.22% 379 0.3 1238 8391427 193885825 193661501 2-0 20: 73 301 74 75 131 59 134 119 212 72 179 105 177 167 121 213 151 226 163 132 0.999 10.09 -0.9 98 97 93 99 299 687.0 30.946 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1012 Proline 10.4485 1288.8 5.2 scans 83% 142 m/z (180) 0.18% 0.103% 415 0.7 249 584445 6213851 5874189 2-1 16: 142 73 143 144 66 170 72 59 155 100 217 99 218 140 175 68 0.991 10.53 -5.0 96 97 96 97 216 40.3 2.626 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1170 Glycine 10.5958 1297.4 >3 scans 56% TIC 2.6% 0.00302% 429 3.7 80 40092 0.123% 182039 182039 7402815 0-0 0.967 10.69 -5.4 87 85 80 91 276 11.3 1.969 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6894 1303.0 3.3 scans 82% 199 m/z 1.4% 0.0421% 437 0.7 189 74319 2536125 2299667 10-2 9: 199 117 145 132 200 131 67 201 96 0.989 10.73 -2.6 90 85 74 99 209 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1168 Glyceric acid 10.9640 1319.5 2.7 scans 91% 73 m/z 0.54% 0.0449% 464 1.0 231 197510 0.0461% 2707671 2702445 2774551 0-1 19: 73 147 292 189 103 205 133 293 102 190 148 117 307 74 294 59 149 101 206 0.992 11.05 -5.4 95 93 95 99 292 65.3 8.002 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0251 1323.2 3.2 scans 48% TIC 6.1% 0.00241% 469 1.4 73 17294 0.0493% 145195 145195 2967145 0-0 0.937 11.06 -2.3 93 94 79 94 285 20.6 8.095 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1162 Fumaric acid 11.2944 1339.4 2.5 scans 27% 245 m/z 6.7% 0.00126% 495 1.0 41 15919 76360 76360 0-0 3: 245 246 240 0.944 11.39 -5.9 82 87 58 87 245 29.9 54.029 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3955 1345.5 5.8 scans 81% TIC 0.62% 0.0519% 505 0.7 186 169918 0.0863% 3125213 3125213 5194008 0-0 0.989 11.45 -3.0 97 95 97 99 145 52.7 8.070 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1160 Serine 11.4460 1348.5 3.3 scans 54% 204 m/z (84) 2.7% 0.0129% 509 0.9 111 38625 0.0159% 782144 739317 956949 0-6 9: 204 218 83 205 100 219 206 157 220 0.993 11.56 -6.7 82 83 76 85 306 8.9 0.638 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1020 Serine 11.4460 1348.5 3.3 scans 51% 204 m/z 2.4% 0.0118% 509 0.9 108 42880 0.0145% 712436 673426 872690 0-6 9: 204 218 83 205 100 219 206 157 220 0.949 11.51 -4.1 83 81 70 88 306 9.5 0.771 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1154 Threonine 11.8563 1373.2 3.2 scans 36% 219 m/z 8.4% 0.00306% 548 0.8 57 12678 0.00347% 184234 184234 208844 0-0 8: 219 218 291 117 220 292 100 221 0.947 11.96 -6.3 85 87 55 86 320 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1146 Malic acid 13.4714 1473.7 2.5 scans 94% 73 m/z (231) 0.090% 0.198% 702 0.9 512 1176206 11921311 11855816 1-0 20: 73 147 233 245 133 189 75 190 148 74 175 191 55 101 149 335 234 59 217 117 0.999 13.62 -9.1 97 98 98 98 350 11.8 0.053 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1026 Malic acid 13.4714 1473.7 2.5 scans 96% 73 m/z 0.088% 0.197% 702 0.9 516 1208257 11912239 11846793 1-0 20: 73 147 233 245 133 189 75 190 148 74 175 191 55 101 149 335 234 59 217 117 0.999 13.53 -3.9 100 99 99 99 335 61.8 1.434 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9681 1505.2 3.0 scans 87% TIC 0.15% 0.0783% 749 1.1 307 667279 0.106% 4716426 4627311 6379662 0-1 0.957 14.11 -9.5 95 92 93 99 273 12.1 0.156 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1134 GABA 14.1280 1515.8 2.7 scans 71% 304 m/z 0.57% 0.0332% 764 1.2 199 185804 2001463 1946149 0-1 10: 304 305 176 86 306 246 216 172 100 143 0.850 14.24 -7.6 93 91 79 95 304 47.5 5.691 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5710 1545.2 2.8 scans 86% TIC 0.27% 0.0899% 806 0.8 317 387748 5410923 5384575 2-0 0.969 14.62 -3.4 99 98 96 98 409 20.6 0.422 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5720 1545.3 2.6 scans 83% 73 m/z 0.28% 0.0797% 806 1.2 313 373738 4798983 4791339 1-0 19: 73 292 147 220 205 293 217 117 103 221 294 148 74 133 206 319 149 102 222 0.997 14.69 -7.9 99 98 96 98 409 20.7 0.438 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1044 Dodecanol 14.7278 1555.6 2.7 scans 53% 243 m/z 1.9% 0.00885% 821 1.1 103 54883 532944 511688 1-1 6: 243 244 97 89 245 101 0.923 14.24 32.2 93 95 86 97 243 55.6 29.226 0.486 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1945 1655.4 2.9 scans 39% 290 m/z 1.3% 0.0125% 961 1.7 107 80708 753032 668836 1-4 5: 290 291 292 392 158 0.857 16.28 -5.7 89 85 74 97 392 15.5 2.109 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1042 Ribose 16.2966 1662.5 2.7 scans 59% 103 m/z 2.1% 0.0122% 970 1.1 119 48522 0.0145% 736176 736176 872690 0-0 15: 103 307 217 308 189 277 309 160 218 104 205 89 219 233 190 0.975 16.10 13.5 93 93 89 94 307 37.2 9.861 0.194 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5428 1679.6 3.0 scans 65% TIC 1.9% 0.00965% 994 1.0 128 55590 0.0442% 581290 581290 2660199 0-0 0.970 16.63 -5.8 83 83 88 88 210 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9163 1705.8 2.8 scans 41% TIC 5.2% 0.00260% 1029 1.4 77 20265 0.0420% 156909 156909 2527790 0-0 0.906 16.99 -5.3 85 85 78 86 422 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1010 Glycerol-P 17.4824 1747.1 4.1 scans 100% 69 m/z 0.038% 1.35% 1083 0.7 1143 2749994 2.45% 81552105 81552105 147454445 0-0 20: 69 55 121 71 111 83 70 107 125 97 123 112 84 187 56 53 154 168 66 160 0.998 16.97 37.6 96 99 98 99 445 178.1 2.429 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5582 1752.6 2.7 scans 62% 217 m/z 0.75% 0.0268% 1090 1.1 180 141027 0.133% 1613907 1559524 8004670 0-1 10: 217 218 219 450 232 305 451 257 148 203 0.974 17.63 -5.4 88 86 81 90 450 25.0 1.937 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1086 Fructofuranose 18.1779 1797.9 3.5 scans 55% 217 m/z 1.4% 0.0145% 1149 1.8 133 74400 0.0565% 874307 874307 3400480 0-0 20: 217 73 437 218 438 147 439 257 219 230 129 215 74 191 189 103 205 148 291 117 0.954 18.13 3.3 88 87 84 91 437 34.3 6.673 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1048 Citric acid 18.2484 1803.2 2.8 scans 59% 273 m/z 0.98% 0.0268% 1156 1.0 177 108456 0.0280% 1618873 1517415 1685194 2-1 15: 273 363 274 375 347 465 275 364 211 376 305 348 257 285 466 0.967 18.24 0.4 94 92 92 99 465 23.7 1.788 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4378 1817.6 4.2 scans 94% TIC 0.035% 1.67% 1174 0.5 1136 3042154 3.69% 101008138 94478496 222084450 1-3 0.984 17.91 39.4 95 99 98 100 327 107.0 0.889 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1012 Phytol 18.5862 1828.9 4.1 scans 97% 68 m/z 0.043% 1.82% 1188 0.4 1220 2441589 1.96% 109853612 108482290 117963556 3-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 70 85 1.000 18.04 40.8 94 97 99 99 278 74.1 0.369 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1016 Hexadecene 18.6377 1832.9 2.5 scans 76% 70 m/z 0.28% 0.104% 1193 1.4 364 377468 1.28% 6290451 6062293 77037424 0-1 19: 70 69 57 71 55 83 111 56 125 126 97 280 84 85 140 112 98 82 68 0.992 18.10 40.5 86 87 93 97 280 53.3 2.142 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6598 1834.5 2.7 scans 71% 285 m/z (70) 0.40% 0.0804% 1195 1.0 313 263916 4844281 4604463 1-1 20: 285 117 73 75 132 129 145 286 131 118 74 287 300 116 133 201 241 61 130 257 0.986 18.73 -5.2 96 98 91 98 300 29.0 0.863 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1076 Pregnane?? 18.7766 1843.4 2.7 scans 90% 345 m/z 0.17% 0.154% 1206 1.0 437 621328 9298349 8809444 1-1 19: 345 73 147 346 255 347 204 191 334 256 74 133 435 148 419 257 239 372 149 0.998 18.86 -6.3 100 99 97 99 537 27.6 0.398 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1002 Phytol 18.8min 18.8608 1849.9 2.7 scans 86% 81 m/z 0.44% 0.127% 1214 1.1 393 237099 0.141% 7666135 7328083 8486154 1-3 20: 81 82 68 95 57 123 55 69 67 79 83 71 96 97 124 109 53 56 111 278 0.966 18.84 1.6 95 94 97 97 278 44.1 1.261 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8671 1850.3 3.1 scans 26% 264 m/z 1.4% 0.0390% 1215 1.8 191 73345 0.0933% 2348303 2348303 5615306 0-0 8: 264 265 279 266 280 192 281 177 0.268 18.87 -0.3 88 88 28 94 278 40.9 4.566 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1074 Adenine 18.8671 1850.3 3.1 scans 6.4% 264 m/z (81) 1.4% 0.00942% 1215 1.8 94 73686 0.0225% 567360 567360 1354173 0-0 8: 264 265 279 266 280 192 281 177 0.789 18.94 -5.6 87 89 75 96 415 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1072 Fructose 18.9586 1857.3 2.9 scans 96% 73 m/z 0.048% 0.616% 1223 0.9 821 2211069 37100662 36859113 2-0 20: 73 103 307 217 147 308 218 277 133 309 74 205 104 189 117 364 219 89 75 148 1.000 19.03 -5.7 99 98 99 98 364 79.1 0.931 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1052 Fructose 19.0807 1866.6 4.4 scans 73% TIC 0.066% 0.572% 1235 1.5 683 1605178 34426926 32856799 1-3 0.955 19.10 -1.8 98 97 95 97 364 67.7 0.984 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1059 1868.6 3.0 scans 75% 81 m/z 0.23% 0.264% 1237 0.8 531 458051 15896084 15552420 1-1 19: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 53 111 56 0.995 18.58 40.2 91 96 97 97 278 66.7 1.578 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN BRA4_R~2-N1004 Galactose 19.1954 1875.4 3.0 scans 33% 319 m/z (204) 3.1% 0.00736% 1246 1.0 90 33800 0.556% 442972 442972 33463131 0-0 7: 319 160 320 228 321 245 229 0.943 19.36 -12.7 84 87 76 86 364 0.0 0.000 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1068 Galactopyranose 19.2217 1877.4 2.8 scans 56% 204 m/z (319) 0.98% 0.0208% 1248 1.3 151 108720 0.0487% 1253274 1216787 2931033 1-0 10: 204 191 192 87 100 193 331 203 310 255 0.957 19.32 -7.1 86 87 86 91 435 8.9 0.349 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1064 Mannose 19.2827 1882.1 2.7 scans 94% 73 m/z 0.048% 0.622% 1254 0.9 866 2181848 37478995 34929314 1-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 148 129 161 207 189 157 1.000 19.45 -13.1 99 98 99 99 319 311.2 12.945 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4847 1897.5 2.9 scans 49% 174 m/z 0.25% 0.0369% 1273 1.2 200 426474 2223801 2166821 1-2 10: 174 175 338 86 176 339 340 264 250 180 0.952 19.49 -0.3 84 84 65 85 338 43.9 4.801 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1059 Glucose 19.5226 1900.4 3.3 scans 79% TIC 0.21% 0.195% 1277 0.5 405 489657 0.318% 11780302 10758907 19138985 2-0 0.922 19.55 -2.3 94 94 87 95 376 12.4 0.093 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9267 1932.9 3.2 scans 63% 204 m/z (332) 0.60% 0.0556% 1315 1.5 229 176291 0.0797% 3350262 3113007 4796783 4-5 13: 204 159 217 205 206 218 145 160 305 291 220 233 185 0.853 19.91 1.2 83 83 76 91 361 9.1 0.159 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2876 1961.9 3.1 scans 53% 204 m/z (394) 0.57% 0.0359% 1350 1.3 185 184408 0.0374% 2165531 2004749 2250937 0-7 7: 204 191 205 192 206 193 203 0.984 20.41 -10.1 89 90 89 91 217 41.0 4.945 -0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3149 1964.1 3.1 scans 35% 394 m/z (204) 1.7% 0.0165% 1352 1.1 127 62433 998079 879816 1-2 13: 394 307 395 333 277 396 433 393 334 245 407 359 278 0.950 20.30 1.6 86 88 80 88 433 13.6 1.142 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1038 C16:0 21.1714 2034.4 3.6 scans 97% 313 m/z 0.027% 1.83% 1434 0.4 1275 3903449 110695734 109924171 0-2 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 69 201 74 315 285 269 1.000 20.62 46.1 94 99 99 100 328 144.7 1.290 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6912 2078.1 3.2 scans 96% 305 m/z 0.029% 1.75% 1483 0.6 1342 3667464 105453048 101304710 1-1 20: 305 217 73 318 147 191 306 265 319 204 218 307 133 320 129 432 219 367 192 148 0.998 21.75 -4.8 100 99 99 99 507 83.2 0.384 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9753 2102.0 3.3 scans 53% 327 m/z 1.6% 0.0289% 1510 1.5 166 63630 0.0372% 1741146 1565116 2238900 1-1 10: 327 117 132 145 328 342 124 329 283 299 0.926 22.33 -31.0 93 95 89 97 342 20.9 1.573 -0.355 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1952 2121.2 3.6 scans 18% 396 m/z 3.0% 0.00892% 1531 2.0 84 34863 0.0115% 537126 525675 692133 0-4 9: 396 219 397 381 398 220 382 249 399 0.843 22.19 0.7 84 86 49 86 396 44.3 27.505 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1927 2208.7 6.1 scans 92% 75 m/z 0.043% 3.48% 1626 0.3 1406 2471111 4.67% 209998530 204675815 281066228 0-2 20: 75 79 73 95 67 93 108 80 81 129 55 91 107 94 117 121 77 135 149 145 0.991 23.12 6.9 98 97 98 97 350 98.7 0.493 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2800 2216.7 3.6 scans 69% 258 m/z 0.34% 0.261% 1634 1.7 458 309797 1.09% 15712151 14705982 65602182 1-0 13: 258 143 348 265 349 259 177 305 138 115 192 70 120 0.968 23.26 2.1 98 98 94 98 379 31.4 0.468 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3621 2224.2 >5 scans 42% TIC 0.18% 0.0334% 1642 0.8 304 563550 0.753% 2015187 2015187 45319672 0-0 0.883 23.34 2.4 93 95 90 95 286 54.4 3.206 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1036 C18:0 23.4294 2230.4 3.2 scans 54% 341 m/z 0.097% 0.409% 1648 1.0 630 1095357 24665483 23139421 3-1 16: 341 117 132 129 145 342 356 57 118 343 131 201 297 313 116 357 0.812 22.89 48.6 90 97 77 97 356 89.6 2.021 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1006 17-Methyltestosterone 23.9061 2274.0 3.7 scans 94% 143 m/z 0.028% 1.86% 1694 0.5 1255 3725118 112056580 105589337 2-2 20: 143 73 345 293 360 117 75 144 147 407 265 169 69 130 333 81 361 257 270 346 1.000 23.88 2.7 100 100 100 100 450 30.8 0.060 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9966 2282.2 2.9 scans 65% 143 m/z 0.30% 0.0681% 1702 0.9 333 348356 1.49% 4102501 4102501 89676377 0-0 20: 143 73 168 155 360 181 144 270 75 169 156 265 69 81 361 74 147 345 205 195 0.991 23.97 2.1 95 92 91 99 360 56.1 2.846 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0576 2287.8 3.4 scans 53% 143 m/z 0.43% 0.0796% 1708 1.5 302 244508 1.30% 4793667 4793667 78241134 0-0 20: 143 73 293 147 409 265 294 115 424 144 130 201 286 410 183 334 285 230 319 299 0.751 24.04 1.9 98 99 91 99 424 32.6 1.166 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.2007 2300.9 3.6 scans 72% 143 m/z 0.20% 0.229% 1721 0.9 430 516616 13786217 12249189 1-2 15: 143 73 156 181 168 144 205 265 157 360 195 74 169 182 270 0.938 24.18 2.1 96 96 96 98 450 12.6 0.085 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.7036 2348.7 5.0 scans 17% 217 m/z (143) 4.9% 0.0195% 1769 0.5 115 21388 0.0392% 1174214 1168594 2359271 0-1 16: 217 191 331 262 421 307 103 205 422 319 332 308 305 320 423 376 0.777 24.65 5.1 84 89 60 88 466 5.1 0.195 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1018 myo-Inositol 25.2339 2399.1 3.3 scans 57% 318 m/z (83) 0.32% 0.151% 1820 1.1 351 325330 0.153% 9105294 7725820 9208380 14-5 16: 318 315 299 387 319 316 389 320 300 317 388 432 433 301 343 305 0.984 25.21 2.3 94 94 93 99 470 25.0 0.507 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2981 2405.5 3.4 scans 72% 182 m/z 0.17% 0.294% 1826 1.3 513 595720 17704851 15964266 8-3 17: 182 143 169 195 374 75 183 196 144 375 170 109 184 269 123 137 167 0.955 25.28 1.8 97 96 96 97 464 12.4 0.059 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1022 Steroid 25.47min 2422 25.5012 2425.6 3.5 scans 83% 143 m/z 0.10% 0.554% 1845 1.1 706 1002209 33389276 29759041 5-2 20: 143 73 182 169 195 75 374 196 183 170 144 81 69 265 95 147 109 74 269 375 0.949 25.47 3.4 93 90 87 100 374 107.2 2.306 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4229 2517.6 3.5 scans 76% 204 m/z 0.040% 0.603% 1933 0.9 722 2653186 36302996 31539640 7-2 14: 204 205 147 217 495 206 117 496 363 273 130 231 218 497 0.990 26.35 7.6 95 94 95 94 495 113.5 2.476 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5765 2533.4 3.7 scans 10% 512 m/z 2.5% 0.0204% 1947 1.7 133 42352 1231491 1205531 1-1 15: 512 455 247 513 456 483 514 457 349 497 423 484 450 424 498 0.607 26.57 0.3 84 86 43 89 512 48.8 13.514 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9553 2572.6 3.7 scans 75% 371 m/z 0.053% 0.652% 1983 0.9 749 1995824 39271730 35462961 10-1 17: 371 372 147 129 57 203 205 239 459 373 55 103 116 145 101 117 313 0.992 26.39 58.0 89 97 97 99 459 92.6 1.531 0.561 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1014 Sucrose 27.4741 2627.0 5.1 scans 88% TIC 0.018% 2.57% 2033 0.4 1337 5785771 3.58% 154906891 142711020 215464046 1-2 0.990 27.49 -1.7 100 99 97 99 437 234.3 3.082 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1008 Sucrose 27.4751 2627.1 4.9 scans 87% 361 m/z (175) 0.018% 2.63% 2033 0.3 1334 5762267 158513060 152377520 1-1 20: 361 73 217 362 147 437 363 271 103 169 129 218 243 319 438 191 219 74 364 331 0.999 27.59 -12.4 98 99 98 99 437 230.8 3.004 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN LQC1-N1010 Sucrose 27.4751 2627.1 4.9 scans 87% 361 m/z 0.018% 2.51% 2033 0.3 1334 5785771 151231781 145378076 1-1 20: 361 73 217 362 147 437 363 271 103 169 129 218 243 319 438 191 219 74 364 331 0.990 27.58 -11.1 100 99 98 99 437 234.3 3.094 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6414 2644.9 4.1 scans 46% 99 m/z (258) 0.14% 0.314% 2049 0.9 521 754332 0.966% 18934504 18934504 58139181 0-0 20: 99 71 214 189 205 145 173 100 186 296 215 287 142 368 227 240 190 113 228 72 0.987 27.64 -0.1 92 93 91 96 632 21.2 0.165 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0759 2691.2 3.5 scans 68% 57 m/z 0.13% 0.303% 2090 1.0 551 795772 18295269 17214502 1-2 18: 57 71 85 55 97 69 83 56 113 70 127 84 111 141 98 112 155 58 0.986 28.06 1.4 96 95 98 98 542 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1020 Contamination 28.25min 28.2611 2711.6 >4 scans 37% 175 m/z (103) 0.29% 0.122% 2107 1.3 300 365677 1.26% 7398470 6739031 75833715 6-0 17: 175 99 71 176 173 187 117 138 89 189 177 296 431 273 473 602 214 0.964 28.25 0.9 87 88 91 93 602 16.0 0.286 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.4063 2727.9 4.5 scans 72% TIC 0.052% 0.595% 2121 2.0 721 2044714 1.58% 35830209 35830209 95093071 0-0 0.968 28.41 -0.5 97 95 96 98 603 25.0 0.120 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5463 2743.7 3.4 scans 68% 99 m/z 0.084% 0.328% 2135 0.9 559 1259182 1.30% 19779413 18352989 78241134 0-3 19: 99 85 57 71 81 100 173 255 97 241 269 283 242 98 159 185 341 169 243 0.996 28.55 -0.5 93 91 97 97 559 23.8 0.181 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6957 2760.5 3.3 scans 61% 99 m/z (361) 0.11% 0.219% 2149 1.1 454 943249 0.304% 13223167 12464543 18296388 2-0 18: 99 71 189 173 283 171 103 185 385 100 145 184 169 187 155 273 170 287 0.994 28.69 1.1 96 97 97 97 603 12.9 0.080 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7567 2767.3 3.6 scans 79% TIC 0.077% 0.454% 2155 0.9 664 1370087 0.657% 27367696 24649328 39541865 0-2 0.995 28.19 63.4 87 96 95 99 487 78.8 1.408 0.564 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1032 Sterol 29.17min 2814 29.2270 2820.3 4.5 scans 89% TIC 0.018% 1.20% 2199 0.6 973 5716473 1.56% 72734214 69480201 93889361 0-3 0.996 29.17 6.6 93 89 96 99 355 87.8 0.820 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1034 Nonacosane 29.5374 2855.2 3.5 scans 48% 57 m/z 0.28% 0.141% 2229 1.1 353 376454 8488508 7111613 2-13 18: 57 71 85 55 56 365 83 113 70 127 141 111 84 393 364 366 155 72 0.750 29.50 3.7 81 76 87 98 408 11.0 0.097 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8584 2891.3 3.4 scans 64% 57 m/z 0.19% 0.161% 2259 1.1 393 547650 0.166% 9742429 8719770 9990791 1-8 19: 57 71 85 55 99 69 83 56 70 113 127 84 111 98 141 72 112 58 155 0.961 29.83 3.6 92 88 97 100 408 23.4 0.354 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1038 Hexacosanol 30.2024 2931.6 3.4 scans 34% 439 m/z (204) 0.60% 0.0382% 2292 1.2 183 175655 0.0397% 2302389 2070908 2389364 1-4 6: 439 440 441 89 442 423 0.969 30.17 3.5 98 100 95 100 439 99.4 29.434 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4444 2960.4 3.6 scans 53% 193 m/z (57 204) 0.62% 0.0990% 2315 1.4 294 169820 5962143 5931568 0-2 9: 193 119 105 163 120 194 176 515 247 0.976 30.36 10.3 81 84 90 88 529 11.9 0.163 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4897 2965.8 3.8 scans 77% TIC 0.14% 0.208% 2319 1.0 469 747463 0.373% 12550304 11564916 22449187 0-10 0.994 30.46 3.2 97 94 98 100 393 102.2 4.762 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2409 3055.0 3.5 scans 81% 57 m/z 0.081% 0.416% 2391 0.7 626 1311204 0.437% 25044002 23581408 26301058 1-2 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 421 98 394 0.994 31.21 3.5 98 96 99 99 393 94.2 2.266 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1048 Hentriacontane 31.5566 3092.5 3.3 scans 87% 57 m/z (345) 0.041% 0.873% 2421 0.5 896 2567034 52559186 50692889 1-3 20: 57 71 85 55 99 83 69 97 113 56 70 127 111 84 141 98 155 112 82 169 1.000 31.53 3.0 98 99 99 100 436 50.9 0.324 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8428 3126.5 3.1 scans 75% 502 m/z 0.081% 0.294% 2448 0.8 565 1306385 17714248 16784770 1-1 17: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 505 193 222 0.976 31.79 6.1 100 99 97 100 502 271.1 22.993 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9680 3141.3 3.6 scans 64% 329 m/z 0.48% 0.194% 2460 1.0 427 220432 11694231 10459081 1-1 15: 329 129 368 353 458 95 330 119 107 121 145 328 105 369 91 0.990 31.87 11.9 96 95 95 98 458 61.7 2.087 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1364 3161.3 3.2 scans 62% 57 m/z 0.10% 0.282% 2476 0.8 546 1012452 0.330% 16975102 16615816 19861211 1-1 20: 57 71 85 56 421 55 83 69 97 99 70 113 422 420 111 127 84 141 58 155 0.948 32.11 3.1 98 96 99 99 421 121.9 4.984 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3352 3184.9 3.3 scans 33% 57 m/z 0.20% 0.154% 2495 1.1 394 531962 0.218% 9301067 8145821 13120436 7-2 17: 57 71 85 99 83 97 56 113 70 127 84 111 141 98 112 58 126 0.954 32.33 1.0 86 90 96 94 785 5.0 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5688 3212.7 3.6 scans 24% 457 m/z 0.84% 0.126% 2517 1.1 299 126862 7611518 5715212 1-9 5: 457 458 481 496 443 0.920 32.71 -17.2 80 78 63 91 457 68.1 5.183 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1046 Stigmasterol 33.0160 3265.8 3.9 scans 65% 83 m/z (309) 0.11% 0.934% 2559 0.4 843 919513 56226901 50910364 6-1 16: 83 129 255 55 394 484 133 159 119 145 351 105 355 139 91 97 0.992 32.98 4.0 93 95 96 95 665 8.6 0.000 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1254 3278.8 4.1 scans 72% TIC 0.064% 0.469% 2570 0.5 704 1641345 0.795% 28271071 28271071 47847463 0-0 0.981 33.10 3.4 87 85 97 93 515 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3885 3310.0 4.3 scans 88% 99 m/z 0.060% 1.62% 2595 0.6 1118 1760675 97608735 94642903 2-0 20: 99 217 361 189 73 199 437 71 529 362 169 103 287 218 438 173 147 363 530 271 0.998 33.38 1.1 100 99 100 100 529 190.5 2.905 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN WTF2-N1034 b-Sitosterol 33.5074 3324.2 >4 scans 65% TIC 0.23% 0.357% 2606 0.9 606 444593 3.32% 21513575 20849618 199815819 2-0 0.997 32.88 74.9 81 93 91 96 486 89.5 2.179 0.630 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7652 3354.8 4.3 scans 83% 217 m/z 0.093% 1.01% 2631 0.6 867 1138308 2.81% 61006691 60086206 169121221 0-3 20: 217 99 85 485 73 361 169 218 57 71 486 362 147 109 103 243 219 129 271 369 0.996 33.75 1.3 99 99 99 99 485 204.8 5.575 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.3028 3418.6 6.8 scans 92% 99 m/z 0.021% 3.67% 2682 0.3 1374 4865340 221387008 214487606 3-1 20: 99 217 361 169 71 73 362 218 109 147 103 257 383 129 363 271 267 319 100 230 0.999 34.22 9.9 96 93 94 98 499 321.2 5.475 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.6048 3454.5 4.6 scans 77% 497 m/z (97) 0.20% 0.483% 2710 0.7 572 510520 29127351 27734017 1-2 8: 497 361 498 362 96 319 451 450 0.998 34.59 1.5 93 92 90 98 596 128.9 5.072 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6132 3455.5 3.8 scans 27% 596 m/z (97) 0.36% 0.147% 2711 1.0 343 293884 8857083 8507282 1-1 12: 596 597 598 331 316 302 599 318 356 315 303 300 0.786 34.47 16.8 87 85 57 98 596 128.6 14.037 0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 1.8 scans 64% 207 m/z 0.62% 0.0198% 27 1.0 166 179310 1033958 945108 1-1 17: 207 295 208 209 296 191 297 279 193 189 210 192 247 177 298 280 265 0.961 6.63 -15.1 98 97 93 98 295 52.5 10.062 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9598 1142.4 >4 scans 34% 147 m/z 4.8% 0.00261% 178 1.3 57 22868 0.0927% 136056 136056 4821937 0-0 2: 147 73 0.948 7.79 9.8 89 88 82 91 219 7.4 1.706 0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1192 Contamination 8.1145 1151.6 2.6 scans 95% 147 m/z 0.15% 0.233% 193 0.6 431 741678 12163997 10669329 12-1 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 103 75 100 149 131 134 221 0.999 7.99 7.4 97 96 97 97 235 88.5 4.209 0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1188 Contamination 8.3155 1163.5 2.2 scans 63% 281 m/z 1.9% 0.0110% 212 1.3 113 58279 575357 557417 0-6 15: 281 147 369 282 283 370 265 371 207 148 249 191 251 284 266 0.955 8.41 -5.9 98 97 81 98 369 33.8 9.032 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1186 Phosphate 8.6227 1181.7 2.1 scans 96% 241 m/z 0.090% 0.136% 241 1.1 408 1231246 7081271 6882502 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 137 147 119 181 257 134 212 1.000 8.56 3.7 100 99 99 100 299 0.0 0.000 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN VEN77_S6-N1002 Glycerol 10.1126 1269.1 6.1 scans 99% 147 m/z 0.013% 3.51% 383 0.4 1167 8314753 183048812 169526550 6-1 20: 147 316 205 302 103 117 148 218 206 317 149 132 104 204 116 203 118 129 101 175 0.998 10.09 1.1 98 97 93 99 299 654.3 31.583 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LACTIC~1-N1034 Glycerol 10.1126 1269.1 6.1 scans 4.3% 147 m/z (299 301) 0.28% 0.159% 383 0.4 244 390635 8284923 7672895 6-1 20: 147 316 205 302 103 117 148 218 206 317 149 132 104 204 116 203 118 129 101 175 0.627 10.11 0.1 81 94 55 89 293 16.4 0.450 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7260 1305.2 3.2 scans 67% 199 m/z 1.7% 0.0313% 441 0.5 146 62660 1632074 1439470 7-1 14: 199 75 117 145 132 200 131 129 118 61 76 201 119 155 0.967 10.73 -0.4 96 94 95 99 209 0.0 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0554 1325.0 3.3 scans 63% TIC 4.4% 0.00646% 472 1.0 81 25200 0.0199% 336331 336331 1035130 0-0 0.954 11.06 -0.5 95 95 87 96 285 24.1 8.889 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4173 1346.8 6.7 scans 83% 57 m/z 0.91% 0.0521% 507 0.4 148 121309 0.0554% 2711134 2573183 2881719 2-0 18: 57 97 115 145 127 129 69 55 56 59 128 72 58 146 98 83 87 116 0.996 11.45 -1.7 99 98 97 99 145 43.7 8.713 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN TAB_REP6-N1026 Malic acid 13.4786 1474.2 2.6 scans 92% 73 m/z 0.28% 0.0817% 703 1.2 284 387061 4253880 4223008 2-0 20: 73 147 233 245 133 189 190 148 75 175 335 191 74 101 234 149 55 177 265 307 0.995 13.53 -3.4 99 98 97 98 335 34.7 1.496 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 13.9763 1505.8 2.9 scans 81% 156 m/z (139) 1.2% 0.0191% 750 1.1 131 89387 997724 942788 1-1 9: 156 258 157 230 147 158 232 148 259 0.992 14.03 -3.5 82 82 72 86 258 22.5 2.937 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9763 1505.8 2.9 scans 50% 156 m/z 1.2% 0.0112% 750 1.1 103 89045 585267 553041 1-1 9: 156 258 157 230 147 158 232 148 259 0.747 14.11 -8.9 93 92 89 96 273 0.0 0.000 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5781 1545.7 2.5 scans 73% 73 m/z 1.0% 0.0266% 807 1.2 166 110509 0.0278% 1388267 1243660 1446061 1-2 20: 73 292 147 220 205 293 217 103 117 294 221 148 133 206 74 149 102 319 218 291 0.986 14.62 -2.9 94 93 92 94 409 11.3 0.461 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5781 1545.7 2.5 scans 73% 73 m/z (71) 1.0% 0.0284% 807 1.2 166 109644 0.0296% 1479370 1325273 1539691 1-2 20: 73 292 147 220 205 293 217 103 117 294 221 148 133 206 74 149 102 319 218 291 0.974 14.69 -7.5 92 93 92 94 409 11.3 0.461 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1044 Dodecanol 14.7349 1556.1 2.8 scans 70% 243 m/z 1.2% 0.0159% 822 0.9 123 87470 827190 761323 1-2 12: 243 244 103 89 83 97 245 101 61 111 76 115 0.982 14.24 32.7 94 97 94 98 243 67.1 29.740 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1975 1655.6 2.8 scans 32% 290 m/z 1.2% 0.0114% 961 1.7 95 91141 595278 580488 0-2 6: 290 291 292 392 158 393 0.681 16.28 -5.5 88 87 56 97 392 15.7 2.709 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5489 1680.0 2.8 scans 80% 55 m/z 0.95% 0.0452% 994 1.3 179 116172 0.0566% 2354919 1689258 2944138 10-5 18: 55 69 83 56 97 70 84 111 82 98 68 127 113 96 140 54 67 110 0.997 16.63 -5.4 94 93 96 94 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1010 Glycerol-P 17.4896 1747.6 2.6 scans 97% TIC 0.037% 1.35% 1084 0.6 1132 3008884 70360372 69485742 1-1 0.999 16.97 38.1 96 99 98 99 445 177.1 2.446 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5601 1752.8 2.7 scans 43% 217 m/z 1.7% 0.0145% 1091 1.2 113 63310 0.0794% 757443 681924 4130116 0-2 7: 217 218 450 219 305 232 451 0.934 17.63 -5.2 81 79 70 84 450 15.7 1.907 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN TAB_REP6-N1048 Citric acid 18.2493 1803.2 2.6 scans 40% 273 m/z 3.0% 0.00973% 1156 1.1 98 36332 506297 482537 1-1 15: 273 363 274 375 347 465 275 211 364 257 376 466 231 183 348 0.924 18.24 0.4 94 94 83 96 465 15.2 2.374 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4450 1818.2 4.5 scans 93% 73 m/z 0.034% 2.17% 1175 0.4 1106 3237713 112984952 108956480 1-1 20: 73 76 135 120 119 132 149 136 62 74 118 58 133 90 77 121 75 117 137 150 0.994 17.91 40.0 95 99 98 99 327 106.1 0.921 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1012 Phytol 18.5881 1829.1 4.0 scans 97% 68 m/z 0.049% 1.98% 1188 0.4 1119 2236515 2.08% 103301297 97407288 108194487 10-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 41.0 94 98 99 99 278 68.2 0.372 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1016 Hexadecene 18.6396 1833.0 2.6 scans 82% 70 m/z 0.26% 0.134% 1193 1.3 370 425673 1.28% 7009896 6671125 66581223 0-1 19: 70 69 71 57 55 56 83 111 125 126 97 280 84 85 140 67 112 98 82 0.998 18.10 40.6 85 86 94 97 280 55.3 2.241 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6617 1834.7 2.7 scans 63% 285 m/z (70) 0.48% 0.0790% 1195 1.2 272 229536 4113728 3980341 1-1 20: 285 117 73 75 132 129 286 145 131 118 74 287 300 116 133 201 241 130 76 257 0.957 18.73 -5.0 96 98 86 98 300 26.0 0.914 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1076 Pregnane?? 18.7775 1843.5 2.7 scans 43% 345 m/z 2.8% 0.00991% 1206 1.0 98 39519 515476 515476 0-1 6: 345 346 255 347 256 334 0.774 18.86 -6.2 81 81 64 81 537 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1002 Phytol 18.8min 18.8637 1850.1 2.7 scans 91% 81 m/z 0.39% 0.175% 1214 1.1 400 280362 9141540 8645638 1-3 20: 81 82 68 95 57 123 69 55 83 67 79 71 96 97 124 109 278 53 56 111 0.986 18.84 1.8 97 97 98 98 278 46.0 1.323 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9521 1856.8 3.0 scans 75% TIC 0.79% 0.0376% 1223 1.2 181 139556 0.195% 1959614 1599843 10143233 0-1 0.980 18.40 41.8 92 96 96 98 364 17.6 0.948 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1072 Fructose 19.0700 1865.8 3.0 scans 53% 73 m/z 0.95% 0.0334% 1234 1.5 164 116134 0.0541% 1741271 1580070 2814097 1-4 18: 73 103 307 217 147 308 277 218 309 364 104 262 89 205 74 219 133 148 0.912 19.03 2.8 86 87 85 87 364 16.7 1.039 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1110 1869.0 2.8 scans 93% 81 m/z 0.19% 0.356% 1238 0.8 566 560942 18520164 17604951 1-2 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 124 109 278 111 53 56 0.999 18.58 40.6 92 96 98 99 278 76.4 1.822 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN BRA4_R~2-N1004 Galactose 19.2731 1881.3 2.8 scans 67% 319 m/z 1.1% 0.0261% 1253 1.1 162 97692 0.0654% 1362738 1357325 3401884 0-1 17: 319 73 205 160 147 320 217 206 321 103 229 207 189 161 157 148 89 0.975 19.36 -6.8 95 94 91 96 364 9.6 0.353 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1068 Galactopyranose 19.3509 1887.3 3.3 scans 50% 204 m/z 2.4% 0.0153% 1261 1.7 110 46103 0.0216% 796397 779618 1123558 0-2 9: 204 191 217 205 147 192 206 193 189 0.958 19.32 2.8 81 79 75 85 435 0.0 0.000 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9307 1933.2 3.5 scans 62% 204 m/z 0.41% 0.0877% 1316 1.5 251 270819 0.101% 4566334 4373025 5253675 2-2 17: 204 217 159 205 147 206 129 218 160 291 203 219 130 101 361 221 403 0.769 19.91 1.5 88 90 85 94 361 10.7 0.182 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1038 C16:0 21.1744 2034.7 4.0 scans 96% 313 m/z 0.026% 2.44% 1434 0.4 1268 4222974 127127787 124200732 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 74 201 315 285 269 1.000 20.62 46.4 94 99 99 100 328 146.9 1.343 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6731 2076.6 3.0 scans 76% 305 m/z 0.42% 0.121% 1481 1.2 318 261262 6317505 5944100 2-2 19: 305 217 147 318 191 306 319 265 218 204 307 432 320 367 133 433 219 129 192 0.993 21.75 -6.3 97 96 95 96 507 20.6 0.418 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9772 2102.2 3.7 scans 60% 327 m/z 1.5% 0.0404% 1510 1.5 169 72480 0.0515% 2104572 2083941 2678854 0-1 13: 327 117 132 129 145 328 342 329 124 118 201 299 283 0.933 22.33 -30.8 94 97 92 98 342 20.6 1.490 -0.353 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1961 2121.3 4.0 scans 22% 396 m/z (143) 3.2% 0.0119% 1531 1.9 83 34310 0.0151% 619560 557713 785450 1-3 8: 396 219 397 381 398 220 382 249 0.943 22.19 0.8 85 87 53 90 396 42.0 25.697 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2041 2209.8 6.9 scans 93% 75 m/z 0.041% 4.88% 1627 0.2 1399 2677236 6.13% 254011249 252339189 318861636 0-1 20: 75 79 73 95 93 67 108 81 80 91 129 55 107 94 121 117 149 77 135 109 0.995 23.12 8.0 97 97 98 96 350 101.2 0.523 0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2777 2216.5 3.9 scans 57% 258 m/z 0.59% 0.182% 1634 2.0 345 186089 1.10% 9503793 9503793 57218238 0-0 14: 258 348 143 265 177 349 259 305 115 134 266 120 70 144 0.906 23.26 1.9 96 96 90 96 379 20.8 0.365 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3577 2223.8 3.8 scans 47% 148 m/z (348) 0.30% 0.0880% 1641 1.8 245 367436 0.163% 4580748 4580748 8478703 0-0 10: 148 95 149 286 162 161 178 163 287 362 0.895 23.34 2.0 87 88 74 95 286 42.8 3.036 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1036 C18:0 23.4355 2230.9 3.3 scans 77% TIC 0.080% 0.883% 1649 1.2 781 1388087 0.991% 45942063 40858462 51548431 1-6 0.851 22.89 49.1 91 98 96 99 356 97.4 1.555 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1006 17-Methyltestosterone 23.8975 2273.2 3.3 scans 92% 143 m/z 0.041% 1.31% 1693 0.6 1011 2683178 68220040 63529929 2-3 20: 143 73 345 360 293 117 75 144 147 407 265 69 331 81 169 130 119 361 333 346 1.000 23.88 1.9 100 100 100 100 450 25.1 0.061 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9964 2282.2 2.9 scans 68% 143 m/z 0.25% 0.100% 1702 1.1 342 431617 1.22% 5253248 5253248 63460228 0-0 16: 143 73 168 155 360 181 144 270 169 156 265 205 195 361 74 345 0.982 23.97 2.1 96 93 92 99 360 59.6 3.041 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0574 2287.8 3.2 scans 42% 143 m/z 0.69% 0.0555% 1708 1.3 223 161538 0.854% 2887411 2884447 44422159 0-1 20: 143 293 409 147 294 265 424 115 144 286 201 130 183 334 285 410 230 319 202 299 0.759 24.04 1.9 96 97 80 97 424 27.6 1.529 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1994 2300.8 3.5 scans 74% 143 m/z 0.18% 0.283% 1721 0.9 433 600468 14743328 13585682 1-2 17: 143 73 156 155 181 144 168 205 265 360 157 195 169 109 345 74 182 0.937 24.18 2.0 96 96 95 98 450 14.0 0.105 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1018 myo-Inositol 25.2348 2399.2 3.3 scans 57% 318 m/z 0.34% 0.145% 1820 1.1 322 324100 0.161% 7554272 6539537 8374669 13-5 17: 318 315 299 147 387 319 316 320 389 300 388 317 301 432 433 343 246 0.900 25.21 2.4 96 94 81 99 470 24.2 0.568 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.5000 2425.4 3.5 scans 79% 143 m/z 0.15% 0.444% 1845 1.0 563 705912 23103706 20729819 5-1 20: 143 73 182 169 195 75 374 196 183 144 81 170 265 69 95 147 109 74 375 269 0.917 25.28 21.7 94 93 95 97 464 23.6 0.175 0.220 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1022 Steroid 25.47min 2422 25.5010 2425.5 3.6 scans 80% TIC 0.15% 0.456% 1845 0.9 566 704037 23747957 20295182 3-2 0.924 25.47 3.3 93 89 86 100 374 85.8 2.300 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6462 2439.9 3.9 scans 33% 91 m/z 0.66% 0.0332% 1859 1.5 149 167699 0.0663% 1729475 1557445 3448699 4-2 15: 91 117 194 207 92 208 374 312 65 249 193 104 118 51 63 0.968 25.61 3.6 82 81 89 88 312 17.3 1.359 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4154 2516.8 3.9 scans 76% TIC 0.071% 0.338% 1932 0.8 526 1558719 0.487% 17606863 16752195 25332074 0-1 0.996 26.35 6.8 91 90 93 91 495 73.7 1.964 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5774 2533.5 3.6 scans 15% 512 m/z 2.4% 0.0299% 1947 1.3 144 46388 0.0372% 1555618 1498089 1935017 8-1 18: 512 455 247 513 456 514 483 349 248 457 484 263 497 515 409 498 353 309 0.685 26.57 0.4 85 85 44 90 512 48.9 11.473 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9541 2572.4 3.4 scans 80% 371 m/z 0.048% 0.796% 1983 0.9 768 2311957 0.829% 41437039 36231658 43121745 14-2 20: 371 372 73 147 129 205 57 203 239 373 71 459 103 55 116 145 101 75 117 133 0.999 26.39 57.8 89 97 97 100 459 96.4 1.582 0.560 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1014 Sucrose 27.4465 2624.1 3.1 scans 28% 361 m/z (117 449) 0.21% 0.127% 2030 1.1 327 515500 6645658 6641307 0-1 9: 361 362 437 363 271 438 439 452 364 0.842 27.49 -4.6 91 95 77 97 437 66.2 4.095 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN LQC1-N1010 Sucrose 27.4465 2624.1 3.1 scans 42% 361 m/z 0.21% 0.182% 2030 1.1 399 509777 9518549 9512318 0-1 9: 361 362 437 363 271 438 439 452 364 0.765 27.58 -14.1 95 94 88 98 437 67.1 2.827 -0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6359 2644.3 3.7 scans 46% 99 m/z (175) 0.17% 0.290% 2048 0.9 461 623138 0.820% 15092543 15092543 42653596 0-0 19: 99 71 214 189 205 173 145 215 287 296 100 186 142 368 187 227 240 190 113 0.991 27.64 -0.7 93 94 92 97 632 19.6 0.181 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0715 2690.8 3.4 scans 66% 57 m/z 0.16% 0.281% 2089 1.0 458 685217 0.324% 14640587 13517467 16853372 3-5 19: 57 71 85 55 69 97 56 83 113 70 127 84 141 111 98 155 112 58 86 0.980 28.06 1.0 95 96 97 96 542 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1020 Contamination 28.25min 28.2588 2711.3 >4 scans 47% 175 m/z (344) 0.26% 0.145% 2107 1.4 309 424247 1.32% 7565440 7103146 68661886 1-0 19: 175 99 71 176 173 187 117 100 189 89 138 177 133 296 273 217 602 368 174 0.978 28.25 0.6 89 90 93 94 602 16.1 0.270 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.4030 2727.6 4.0 scans 67% TIC 0.076% 0.447% 2121 1.7 602 1463359 1.63% 23261299 20141870 84787026 0-3 0.970 28.41 -0.8 96 95 96 98 603 22.6 0.141 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5471 2743.8 3.3 scans 75% 99 m/z 0.078% 0.454% 2135 0.7 569 1418043 1.40% 23652728 22019346 72823212 0-4 19: 99 85 57 71 81 173 255 100 269 97 241 159 283 242 98 185 169 109 243 0.992 28.55 -0.4 95 93 98 98 559 24.6 0.186 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6934 2760.2 3.4 scans 57% 99 m/z 0.15% 0.164% 2149 1.2 365 698415 0.245% 8577824 7962556 12744062 2-0 18: 99 71 189 173 283 171 103 385 185 100 145 184 187 169 273 288 287 170 0.963 28.69 0.8 97 97 90 97 603 11.2 0.094 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7565 2767.3 3.4 scans 83% TIC 0.069% 0.543% 2155 0.9 665 1593205 0.717% 28287436 27034375 37295888 0-1 0.994 28.19 63.4 87 96 96 99 487 81.7 1.511 0.564 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1032 Sterol 29.17min 2814 29.2258 2820.1 4.4 scans 90% 99 m/z 0.020% 1.44% 2199 0.5 914 5458374 1.49% 75220332 69963844 77504704 3-5 20: 99 71 81 100 283 269 97 256 356 98 57 169 73 257 69 109 355 196 241 255 0.998 29.17 6.4 92 87 96 99 355 83.3 0.836 0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1034 Nonacosane 29.5372 2855.1 3.4 scans 54% 57 m/z 0.28% 0.156% 2229 1.2 348 391024 0.184% 8147979 7600453 9571051 3-0 20: 57 71 85 99 55 69 56 365 83 113 70 127 111 141 393 84 366 364 155 72 0.762 29.50 3.6 82 77 87 98 408 12.2 0.122 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8561 2891.0 3.3 scans 64% 57 m/z 0.30% 0.121% 2259 1.1 310 370720 0.127% 6316335 5473236 6606106 1-8 20: 57 71 85 55 69 83 99 56 113 70 84 127 111 141 98 86 58 155 112 72 0.963 29.83 3.3 91 86 97 100 408 19.3 0.386 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1038 Hexacosanol 30.2012 2931.5 3.1 scans 48% 439 m/z 0.48% 0.0500% 2292 1.0 202 230351 0.0518% 2605080 2498793 2694459 1-1 7: 439 440 441 89 61 442 423 0.977 30.17 3.4 100 100 98 100 439 108.9 29.071 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4895 2965.7 3.4 scans 71% 57 m/z 0.18% 0.199% 2319 0.9 390 589305 0.205% 10382902 9408199 10663399 4-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 394 113 127 111 84 141 58 155 0.995 30.46 3.1 98 96 99 99 393 90.7 5.418 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2386 3054.7 3.4 scans 83% 57 m/z 0.093% 0.438% 2390 0.7 577 1198435 0.465% 22806005 21919434 24187710 1-1 20: 57 71 85 55 99 69 56 393 83 97 113 70 127 111 84 141 421 155 394 98 0.993 31.21 3.2 98 96 99 99 393 89.3 2.397 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1048 Hentriacontane 31.5480 3091.4 3.4 scans 84% 57 m/z 0.064% 0.609% 2420 0.7 691 1725973 31721460 30741337 1-4 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 72 0.997 31.53 1.9 99 98 99 99 436 40.8 0.350 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7048 3110.1 6.9 scans 15% 204 m/z 1.8% 0.00838% 2435 0.8 104 60285 0.0607% 436094 378134 3157406 0-3 10: 204 597 205 217 73 598 337 292 338 103 0.826 31.68 3.5 82 84 75 85 597 13.6 1.694 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8436 3126.6 3.0 scans 84% 502 m/z 0.056% 0.508% 2448 0.7 670 1968324 26462320 25347979 1-1 17: 502 237 503 73 236 238 504 57 277 221 71 223 208 74 239 505 193 0.984 31.79 6.2 100 99 98 100 502 318.4 22.630 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9720 3141.8 3.4 scans 76% 329 m/z 0.30% 0.391% 2460 0.8 546 371437 20367571 18576862 2-0 17: 329 129 368 458 353 95 330 107 119 121 81 105 145 328 369 91 93 0.992 31.87 12.4 97 95 96 98 458 81.1 2.208 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1351 3161.2 3.4 scans 56% 57 m/z 0.14% 0.255% 2476 0.8 456 755838 0.357% 13279169 13058624 18569919 2-1 20: 57 71 85 56 421 55 69 83 97 70 420 422 113 127 111 84 141 58 393 155 0.890 32.11 3.0 97 96 98 99 421 104.2 5.221 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3350 3184.9 3.1 scans 29% 57 m/z 0.27% 0.125% 2495 1.1 332 404946 0.210% 6541586 5976894 10923482 3-2 17: 57 71 85 99 83 113 56 97 70 127 84 141 98 112 58 126 140 0.935 32.33 1.0 82 87 95 91 785 3.5 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5686 3212.7 3.3 scans 31% 457 m/z 0.71% 0.131% 2517 0.8 314 155666 0.227% 6823979 6743456 11807764 1-0 3: 457 458 496 0.943 32.71 -17.2 86 84 68 92 457 77.2 6.034 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1046 Stigmasterol 33.0200 3266.3 6.6 scans 81% TIC 0.10% 1.55% 2560 0.3 927 1098215 3.86% 80655951 80655951 200783999 0-0 0.976 32.98 4.5 95 95 96 96 665 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1168 3277.8 3.5 scans 62% 57 m/z (471) 0.11% 0.345% 2569 0.8 507 941758 0.496% 17958842 17656984 25800224 1-0 20: 57 71 55 69 83 56 113 70 97 111 84 127 141 98 112 155 82 58 125 126 0.987 33.10 2.4 83 82 95 93 515 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3956 3310.9 4.2 scans 90% 99 m/z 0.054% 2.20% 2595 0.5 1166 2062490 114698215 111094521 2-1 20: 99 217 361 189 73 199 437 71 529 362 169 287 103 438 218 173 147 363 530 271 0.999 33.38 2.0 100 99 100 100 529 199.6 2.934 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN WTF2-N1034 b-Sitosterol 33.5040 3323.8 >3 scans 66% TIC 0.27% 0.325% 2606 0.7 556 399923 5.01% 16913941 16913941 260603066 0-0 0.991 32.88 74.5 82 94 92 97 486 82.2 2.189 0.627 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7755 3356.0 4.4 scans 85% 217 m/z 0.065% 1.62% 2632 0.5 978 1691535 4.24% 84341500 80633030 220550300 0-4 20: 217 99 485 85 361 73 169 57 218 71 486 362 147 103 109 243 271 129 219 369 0.979 33.75 2.5 99 99 98 99 485 247.1 6.389 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2932 3417.5 8.9 scans 90% 499 m/z 0.024% 5.39% 2681 0.8 1291 4607635 280426782 261787028 3-2 7: 499 500 451 501 453 454 471 0.999 34.22 8.8 96 94 94 98 499 310.4 5.796 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP4.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.6151 3455.7 4.2 scans 70% 97 m/z 0.066% 0.637% 2711 0.8 626 1681794 33184060 29855918 3-2 16: 97 497 596 217 361 597 498 98 362 598 218 96 319 271 331 363 0.938 34.59 2.7 92 90 61 95 596 134.8 4.652 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN EXBLK5S-N1006 Contamination 6.3646 1047.9 >2 scans 71% TIC 0.58% 0.0190% 26 1.1 170 187383 0.242% 945760 945760 12030635 0-0 0.993 6.63 -15.4 97 96 86 97 295 52.9 9.639 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1192 Contamination 7.9587 1142.4 2.5 scans 96% 147 m/z 0.086% 0.332% 178 0.8 577 1281307 16530773 16149385 2-1 20: 147 73 133 220 235 148 59 146 72 86 160 74 89 100 75 103 149 131 134 236 0.995 7.99 -1.8 99 98 97 99 235 118.2 4.200 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1188 Contamination 8.2985 1162.5 2.2 scans 69% 281 m/z 2.5% 0.00874% 210 1.2 99 43408 0.00932% 434666 400306 463329 1-2 12: 281 147 369 282 283 370 207 265 148 371 249 284 0.974 8.41 -6.9 97 96 79 98 369 28.5 8.261 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1186 Phosphate 8.4932 1174.0 2.3 scans 97% 241 m/z 0.065% 0.217% 229 1.0 482 1685279 10816622 10589456 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 137 147 181 212 121 134 1.000 8.56 -4.0 100 99 99 100 299 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1180 Benzoic acid 9.6601 1242.7 3.2 scans 42% 179 m/z 7.2% 0.00347% 340 0.6 50 15248 0.00457% 172730 167425 227190 2-0 5: 179 105 135 180 194 0.696 9.76 -5.8 92 94 86 96 194 8.0 2.513 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN VEN77_S6-N1002 Glycerol 10.0378 1264.8 5.7 scans 98% TIC 0.014% 2.67% 376 0.4 1130 7754942 133057589 133057589 0-0 1.000 10.09 -3.2 98 96 92 99 299 638.1 32.044 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1174 Proline 10.4282 1287.6 4.7 scans 69% TIC 0.92% 0.0228% 413 0.4 109 119229 0.0260% 1137789 1120270 1292548 2-0 0.919 10.55 -6.8 94 94 93 94 142 79.1 52.329 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN TAB_REP6-N1012 Proline 10.4292 1287.7 3.4 scans 71% 142 m/z 0.82% 0.0172% 413 0.7 111 134089 855844 795010 6-1 6: 142 143 216 144 66 72 0.950 10.53 -6.1 96 96 89 96 216 19.2 3.014 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6544 1300.9 3.0 scans 88% 199 m/z 1.3% 0.0471% 434 1.0 198 82850 2343655 2218222 3-1 18: 199 75 117 145 55 132 200 129 131 67 74 118 61 81 201 76 125 72 0.996 10.73 -4.7 89 83 73 99 209 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9901 1321.1 2.7 scans 68% 184 m/z 2.7% 0.0104% 466 0.9 101 39984 521272 520392 1-0 19: 184 134 285 174 86 77 100 185 227 286 135 59 130 186 175 172 287 110 60 0.964 11.06 -4.4 98 97 92 97 285 31.9 9.932 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3636 1343.6 4.0 scans 89% TIC 0.50% 0.0661% 502 0.9 203 217298 0.0869% 3287425 3022407 4320091 1-0 0.996 11.45 -4.9 99 97 97 99 145 58.3 8.271 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1146 Malic acid 13.4490 1472.3 2.6 scans 89% TIC 0.49% 0.0512% 700 1.0 221 223272 2548101 2349594 2-2 0.994 13.62 -10.5 97 96 94 96 350 0.0 0.000 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN TAB_REP6-N1026 Malic acid 13.4490 1472.3 2.5 scans 89% 73 m/z 0.48% 0.0489% 700 1.0 221 225843 2433294 2350424 2-1 19: 73 147 233 245 133 189 190 148 175 191 74 335 234 101 149 55 265 307 171 0.996 13.53 -5.3 98 97 96 97 335 26.2 1.399 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1138 Pyroglutamic acid 13.9467 1503.8 2.9 scans 45% 156 m/z 2.5% 0.00596% 747 1.1 73 42627 296399 279517 2-1 6: 156 232 157 258 230 158 0.969 14.11 -10.9 82 77 77 94 273 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5570 1544.3 2.6 scans 66% 73 m/z 1.8% 0.0152% 805 1.2 122 60871 0.0156% 760533 704961 775529 3-1 20: 73 292 147 220 205 293 217 103 319 294 221 148 199 102 149 206 291 189 74 133 0.977 14.69 -8.9 91 89 87 92 409 7.5 0.374 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1044 Dodecanol 14.7127 1554.6 2.8 scans 88% TIC 0.46% 0.0465% 820 0.9 203 234942 0.0652% 2312249 2061661 3241311 2-8 0.986 14.24 31.2 97 98 97 99 243 111.1 29.824 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1753 1654.0 3.7 scans 71% TIC 0.40% 0.0544% 959 1.1 198 273856 0.118% 2707503 2707503 5866177 0-0 0.818 16.28 -7.1 98 96 93 99 392 27.3 1.893 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5330 1678.9 2.8 scans 92% 55 m/z 0.29% 0.127% 993 1.2 325 368786 0.138% 6318174 5683440 6860444 8-3 20: 55 69 73 83 70 56 97 57 84 111 127 82 113 98 68 71 140 67 54 96 0.999 16.63 -6.5 99 98 99 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1010 Glycerol-P 17.4684 1746.1 2.6 scans 96% 357 m/z 0.042% 1.19% 1082 0.6 1053 2605603 59391538 55271851 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 301 103 101 256 387 133 129 328 218 0.999 16.97 36.6 96 99 98 99 445 168.6 2.565 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5410 1751.4 2.7 scans 50% 217 m/z 1.6% 0.0138% 1089 1.1 115 66130 0.0886% 688688 663027 4404604 1-1 10: 217 218 219 450 232 305 451 257 203 253 0.951 17.63 -6.6 82 81 77 86 450 16.2 2.005 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN TAB_REP6-N1048 Citric acid 18.2302 1801.8 2.7 scans 32% 273 m/z (217 217) 4.9% 0.00682% 1154 1.1 80 22496 0.00690% 339304 333689 343022 0-2 10: 273 363 274 375 347 465 211 275 364 156 0.912 18.24 -1.0 86 90 77 93 465 12.3 2.373 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4228 1816.5 4.4 scans 90% 73 m/z 0.032% 2.19% 1172 0.4 1110 3427781 109312520 105419052 1-1 20: 73 76 135 120 119 132 149 136 62 74 118 58 133 90 77 121 75 117 137 150 0.938 17.91 38.3 95 99 93 99 327 110.0 0.984 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.3 scans 97% 68 m/z 0.052% 1.59% 1186 0.4 1095 2111231 1.67% 79253281 77930234 83021321 1-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 56 79 110 137 1.000 18.04 39.1 94 98 99 99 278 66.1 0.364 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1016 Hexadecene 18.6174 1831.3 2.6 scans 85% 70 m/z 0.30% 0.121% 1191 1.3 346 359302 1.24% 6061130 5759351 61644574 0-1 20: 70 69 71 57 55 83 56 111 125 126 97 280 84 85 140 67 112 82 98 68 0.997 18.10 38.9 84 83 93 97 280 51.6 2.221 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6416 1833.2 2.7 scans 62% 285 m/z 0.56% 0.0666% 1193 1.2 251 195315 3315411 3208338 1-1 20: 285 117 73 75 132 129 286 145 131 118 287 74 116 201 300 241 130 133 76 61 0.991 18.73 -6.5 97 96 85 96 300 23.6 0.880 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1002 Phytol 18.8min 18.8447 1848.6 2.8 scans 88% 81 m/z 0.48% 0.157% 1213 1.0 369 228754 7854019 7389735 1-4 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 278 111 110 56 0.976 18.84 0.3 98 97 98 99 278 42.5 1.322 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1018 Fructose 18.9331 1855.4 2.9 scans 54% 73 m/z 1.9% 0.0148% 1221 0.6 115 56824 0.0230% 738783 654722 1143407 0-1 18: 73 103 307 217 308 147 277 218 309 104 133 205 189 89 364 74 117 148 0.971 18.52 31.1 88 91 90 92 364 11.2 0.940 0.408 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9341 1855.5 3.3 scans 54% TIC 1.9% 0.00704% 1221 0.8 115 56496 0.118% 350062 350062 5866177 0-0 0.969 18.40 40.5 90 95 91 95 364 11.3 0.964 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0899 1867.3 2.8 scans 95% TIC 0.22% 0.335% 1236 0.7 540 494364 16668810 15633788 2-1 0.997 18.58 38.9 92 95 98 99 278 73.8 1.872 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN BRA4_R~2-N1004 Galactose 19.2551 1879.9 4.2 scans 33% TIC 5.1% 0.00355% 1252 1.1 74 21234 0.136% 176466 176466 6761018 0-0 0.873 19.36 -8.2 87 87 73 89 364 0.0 0.000 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1068 Galactopyranose 19.3319 1885.8 2.9 scans 55% 204 m/z 1.6% 0.0180% 1259 1.2 126 67717 0.0397% 898607 876945 1973621 1-3 7: 204 191 205 192 206 193 189 0.925 19.32 1.3 83 81 82 87 435 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9116 1931.6 2.9 scans 70% 204 m/z 0.28% 0.0926% 1314 1.2 284 388098 4604655 4231477 3-2 16: 204 217 159 205 147 206 129 218 103 160 219 305 148 291 243 203 0.905 19.91 -0.1 91 90 89 96 361 11.6 0.166 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1038 C16:0 21.1585 2033.3 4.1 scans 97% TIC 0.026% 2.46% 1432 0.3 1236 4116429 122666263 120139679 1-1 1.000 20.62 45.0 94 99 99 100 328 144.2 1.364 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6572 2075.2 2.8 scans 66% 305 m/z 1.0% 0.0516% 1480 0.9 216 109886 2565742 2426465 4-1 19: 305 217 318 147 191 306 319 265 218 204 307 320 432 433 367 291 219 148 192 0.975 21.75 -7.7 96 95 93 96 507 14.3 0.439 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9571 2100.4 3.3 scans 60% 327 m/z 1.4% 0.0384% 1508 1.3 169 74582 0.0473% 1912992 1772698 2351442 2-3 12: 327 117 132 129 328 145 342 329 201 283 299 146 0.939 22.33 -32.6 94 97 91 98 342 21.9 1.679 -0.373 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1791 2119.8 3.5 scans 21% 396 m/z 2.6% 0.0106% 1530 1.6 83 41148 0.0127% 528874 487143 631360 1-5 8: 396 219 397 381 398 220 382 383 0.952 22.19 -0.7 88 89 53 89 396 46.5 31.462 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1040 Phytol 22.6158 2158.0 4.0 scans 89% TIC 0.059% 0.348% 1571 1.0 507 1864250 0.657% 17329311 17329311 32661681 0-0 0.997 22.08 46.5 80 82 90 96 181 7.4 0.021 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1903 2208.5 6.6 scans 93% 79 m/z 0.041% 4.94% 1626 0.2 1408 2640776 5.56% 245759720 242432275 276406314 0-1 20: 79 75 73 335 95 93 108 67 81 91 129 80 107 94 121 149 135 77 122 109 0.998 23.12 6.7 97 96 99 96 350 104.2 0.548 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2608 2215.0 3.7 scans 51% 258 m/z 0.50% 0.164% 1632 1.4 347 218017 0.865% 8174172 8174172 43002062 0-0 12: 258 143 348 265 177 349 192 259 305 115 120 144 0.785 23.26 0.4 96 98 82 97 379 23.4 0.456 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3418 2222.4 3.2 scans 36% 148 m/z (73) 0.31% 0.0595% 1640 1.2 218 345227 0.0854% 2959804 2959804 4245521 0-0 8: 148 149 286 161 178 162 287 362 0.836 23.34 0.6 84 86 70 91 286 41.5 3.632 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1036 C18:0 23.4165 2229.2 3.3 scans 76% TIC 0.082% 0.785% 1647 1.1 761 1334277 0.878% 39027225 35971619 43648335 0-1 0.843 22.89 47.4 92 98 95 99 356 95.1 1.563 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7227 2257.2 2.8 scans 38% 163 m/z 0.50% 0.0414% 1676 1.1 195 217763 2062419 2058429 2-0 7: 163 331 164 165 88 332 90 0.703 23.72 0.3 94 95 85 96 331 41.1 4.454 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1006 17-Methyltestosterone 23.8774 2271.3 3.1 scans 92% 143 m/z 0.047% 1.14% 1691 0.6 949 2329483 1.24% 57152230 52013399 61644574 3-4 20: 143 73 360 345 293 117 75 144 147 407 265 69 169 331 81 130 361 257 333 119 1.000 23.88 0.0 100 100 100 100 450 25.0 0.069 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9773 2280.5 2.9 scans 63% 143 m/z 0.33% 0.0855% 1700 0.9 296 329400 1.02% 4252382 4252382 50707633 0-0 17: 143 73 168 155 360 181 144 270 169 265 156 205 345 195 361 74 182 0.976 23.97 0.4 94 93 91 99 360 53.6 3.268 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0394 2286.1 3.0 scans 50% 143 m/z (67) 0.78% 0.0717% 1706 1.2 241 141023 0.936% 3566208 3532709 46531710 0-1 20: 143 293 409 147 265 294 424 115 144 201 286 299 183 230 130 319 285 410 334 292 0.945 24.04 0.2 94 96 84 98 424 28.4 1.390 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1814 2299.1 3.1 scans 65% 143 m/z 0.22% 0.192% 1720 0.9 379 486354 9565024 8247847 2-3 14: 143 156 155 181 144 168 265 360 157 195 345 182 169 183 0.895 24.18 0.3 95 96 88 98 450 13.0 0.118 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1018 myo-Inositol 25.2126 2397.1 3.0 scans 51% 318 m/z 0.57% 0.0817% 1818 1.0 248 192011 0.0915% 4061818 3362488 4548773 14-1 17: 318 315 299 147 387 319 316 389 320 300 388 317 433 301 432 343 470 0.879 25.21 0.3 97 97 82 99 470 20.3 0.668 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2789 2403.6 3.8 scans 74% TIC 0.29% 0.221% 1824 1.0 405 370270 0.305% 11011371 10337865 15162577 0-4 0.954 25.28 -0.1 98 97 97 98 464 9.0 0.050 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6282 2438.1 3.5 scans 36% 91 m/z 0.58% 0.0361% 1857 1.2 160 188972 0.0592% 1797303 1652929 2943031 5-3 14: 91 117 194 207 92 115 208 193 312 65 51 128 63 102 0.965 25.61 1.8 81 79 88 89 312 19.3 1.447 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3942 2514.6 3.2 scans 78% TIC 0.065% 0.314% 1930 0.9 555 1688541 0.496% 15653702 15653702 24657829 0-0 0.982 26.35 4.6 91 90 94 91 495 76.0 1.879 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5594 2531.7 2.9 scans 42% 512 m/z (383) 0.44% 0.105% 1946 0.9 301 250894 5220075 5166468 0-1 16: 512 455 247 513 456 483 514 248 349 457 263 497 484 423 409 515 0.949 26.57 -1.4 94 95 87 97 512 94.4 9.868 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9329 2570.2 2.9 scans 79% 371 m/z 0.057% 0.548% 1981 0.8 700 1924186 0.569% 27270039 26667061 28286905 2-3 18: 371 372 147 129 57 205 203 239 373 459 55 71 103 116 145 101 117 133 0.992 26.39 55.6 90 97 97 99 459 87.3 1.556 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1010 Sucrose 27.4243 2621.7 2.8 scans 26% 361 m/z (449 397) 0.44% 0.0760% 2028 1.0 258 248802 3778491 3492101 1-1 8: 361 362 437 363 271 438 439 364 0.877 27.58 -16.5 89 94 80 94 437 48.7 3.573 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN LQC1-N1014 Sucrose 27.4243 2621.7 2.8 scans 28% 361 m/z 0.44% 0.0769% 2028 1.0 271 250497 3823096 3533324 1-1 8: 361 362 437 363 271 438 439 364 0.729 27.49 -7.0 94 94 84 97 437 47.8 3.112 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6148 2642.0 3.4 scans 52% 99 m/z (175) 0.17% 0.285% 2046 0.8 460 623819 0.721% 14195841 14195841 35843337 0-0 19: 99 71 189 205 145 173 100 215 287 368 142 187 544 227 240 228 190 113 171 0.993 27.64 -3.0 93 94 93 96 632 20.1 0.191 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0577 2689.3 2.9 scans 75% 333 m/z (344) 0.17% 0.259% 2088 0.9 466 614267 0.974% 12904017 12528012 48420818 1-1 13: 333 334 288 423 462 198 372 424 463 270 335 390 373 0.990 28.06 -0.5 94 94 98 97 542 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1020 Contamination 28.25min 28.2377 2709.0 3.0 scans 46% 175 m/z 0.29% 0.101% 2105 1.4 296 370085 0.965% 5045355 4811040 47973398 1-0 16: 175 99 71 176 173 187 117 100 189 138 89 296 273 177 431 368 0.901 28.25 -1.7 90 91 93 94 602 15.2 0.264 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3808 2725.1 3.2 scans 61% 99 m/z 0.11% 0.231% 2119 0.8 528 976723 0.848% 11506606 11506606 42156934 0-0 19: 99 71 189 173 171 283 103 385 145 184 187 273 185 75 287 155 100 288 170 0.981 28.41 -3.3 96 95 96 97 603 22.1 0.175 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5249 2741.3 3.0 scans 74% 99 m/z 0.092% 0.332% 2133 0.7 523 1196686 1.09% 16542934 16542934 54187569 0-0 19: 99 85 57 71 81 173 255 100 269 241 283 159 97 242 185 341 98 169 109 0.993 28.55 -2.9 95 93 97 97 559 21.9 0.175 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6722 2757.8 2.9 scans 56% 99 m/z 0.18% 0.131% 2147 1.1 349 601256 0.191% 6550009 6168033 9495253 2-0 17: 99 71 189 173 283 171 103 145 185 385 100 184 187 169 288 287 273 0.954 28.69 -1.6 97 97 91 97 603 10.9 0.097 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7322 2764.6 3.0 scans 78% TIC 0.095% 0.354% 2152 1.0 570 1154010 0.495% 17635063 16874294 24608116 0-1 0.961 28.19 60.7 87 96 94 99 487 70.9 1.545 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1032 Sterol 29.17min 2814 29.1983 2817.0 4.2 scans 88% 99 m/z 0.025% 1.11% 2197 0.9 812 4302089 1.15% 55323609 51404387 57170371 4-3 19: 99 71 81 100 283 269 97 256 185 169 356 98 57 257 75 355 109 69 196 0.997 29.17 3.3 91 87 95 99 355 74.6 0.851 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1034 Nonacosane 29.5161 2852.8 3.0 scans 53% 57 m/z 0.29% 0.127% 2227 0.9 341 378797 0.153% 6355424 5850515 7606145 3-0 20: 57 71 85 99 55 69 56 365 83 113 70 127 111 141 84 393 366 155 364 72 0.801 29.50 1.3 85 81 88 98 408 12.1 0.125 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8360 2888.7 2.9 scans 63% 57 m/z 0.30% 0.0961% 2257 1.0 311 358925 0.111% 4777564 4727389 5518184 2-1 20: 57 71 85 55 99 69 56 83 113 70 127 84 141 111 98 58 86 155 126 112 0.979 29.83 1.0 91 86 96 100 408 19.0 0.373 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1038 Hexacosanol 30.1800 2929.0 2.9 scans 42% 439 m/z 0.53% 0.0422% 2290 1.0 194 207987 0.0442% 2101452 1950808 2197331 2-1 7: 439 440 441 89 61 442 423 0.976 30.17 0.9 100 100 98 100 439 104.5 28.950 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4694 2963.3 2.8 scans 69% 57 m/z 0.19% 0.173% 2317 0.9 395 580277 0.180% 8641451 8240800 8948406 3-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 394 113 127 111 141 84 365 58 0.992 30.46 0.7 97 96 98 99 393 92.4 5.472 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2206 3052.6 2.8 scans 81% 57 m/z 0.093% 0.383% 2389 0.7 583 1187005 0.404% 19065397 18298720 20084200 1-2 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 392 421 394 0.993 31.21 1.1 98 97 99 99 393 91.2 2.452 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1048 Hentriacontane 31.5279 3089.1 3.2 scans 79% 57 m/z 0.075% 0.511% 2418 0.8 644 1471368 25447802 23780273 1-4 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 72 0.996 31.53 -0.4 98 97 99 98 436 38.0 0.349 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6847 3107.7 7.2 scans 15% 204 m/z 1.2% 0.0121% 2433 1.1 119 86523 0.0865% 604845 525913 4300206 0-4 12: 204 597 205 217 337 206 129 191 103 338 598 147 0.848 31.68 1.1 85 87 79 88 597 16.3 1.868 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8235 3124.2 2.9 scans 79% 502 m/z 0.072% 0.392% 2446 0.8 591 1524983 19500334 18941632 1-1 16: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 505 193 0.976 31.79 3.8 100 99 98 100 502 283.0 22.920 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9519 3139.4 3.2 scans 74% 329 m/z 0.33% 0.334% 2458 0.8 525 332677 16606854 15996775 1-0 16: 329 129 353 95 330 107 121 119 105 145 552 328 369 91 93 159 0.994 31.87 10.0 97 95 95 98 458 77.6 2.187 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1150 3158.8 3.1 scans 51% 57 m/z 0.16% 0.216% 2474 0.9 437 679101 0.296% 10770462 10259285 14715156 3-1 20: 57 71 85 56 421 55 69 83 97 70 422 420 113 127 111 141 84 58 155 393 0.902 32.11 0.6 97 96 98 99 421 100.8 5.317 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3170 3182.8 3.1 scans 23% 57 m/z 0.30% 0.109% 2493 1.2 318 366640 0.215% 5431286 5336151 10688374 1-1 14: 57 71 85 99 113 56 70 127 84 141 98 112 58 86 0.912 32.33 -1.1 82 91 94 90 785 4.4 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5475 3210.2 3.2 scans 23% 457 m/z 0.75% 0.129% 2515 0.8 311 145747 0.222% 6414319 5808242 11036367 2-0 3: 457 458 459 0.885 32.71 -19.7 83 83 67 92 457 75.0 5.811 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1046 Stigmasterol 32.9989 3263.8 6.3 scans 75% TIC 0.12% 1.23% 2558 0.3 847 904022 3.03% 61485451 61485451 150631499 0-0 0.960 32.98 2.0 95 95 95 96 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3755 3308.5 3.7 scans 87% 217 m/z 0.055% 2.05% 2594 0.5 1160 2003185 102114760 98560440 2-0 20: 217 99 361 189 199 73 437 71 529 362 169 287 103 218 438 173 363 530 147 271 0.998 33.38 -0.4 100 99 100 100 529 199.9 2.971 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN WTF2-N1034 b-Sitosterol 33.4850 3321.5 >4 scans 61% TIC 0.29% 0.319% 2604 1.0 537 373256 4.28% 15894997 15894997 212773206 0-0 0.997 32.88 72.2 81 93 91 96 486 79.8 2.210 0.608 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7512 3353.1 4.0 scans 83% 217 m/z 0.066% 1.52% 2629 0.6 979 1662544 4.00% 75800034 72838998 198853464 0-4 20: 217 99 485 85 361 73 169 57 218 71 486 362 147 103 109 243 271 369 219 363 0.971 33.75 -0.4 99 98 98 99 485 244.4 6.240 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2920 3417.3 7.2 scans 92% 99 m/z 0.021% 5.13% 2681 0.2 1382 5221439 255358426 243950193 2-1 20: 99 217 169 71 361 73 109 147 103 257 267 271 363 129 100 230 110 243 285 127 0.999 34.22 8.6 96 94 94 98 499 327.3 5.624 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP5.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.6024 3454.2 5.0 scans 56% 99 m/z 0.25% 0.484% 2710 0.9 534 441457 0.739% 24099895 23339766 36738177 3-1 9: 99 169 257 100 267 170 384 285 401 0.779 34.59 1.2 94 93 92 96 596 121.6 5.194 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN EXBLK5S-N1006 Contamination 6.3647 1047.9 >2 scans 67% TIC 0.51% 0.0206% 26 1.2 172 231090 0.245% 1116976 1116976 13238036 0-0 0.988 6.63 -15.4 98 97 88 98 295 54.9 10.218 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1192 Contamination 7.9493 1141.8 2.5 scans 94% 147 m/z 0.11% 0.242% 177 0.8 475 991391 13088047 12395327 2-1 20: 147 73 133 235 220 146 59 148 72 86 160 74 89 103 100 75 149 131 134 236 0.991 7.99 -2.4 99 98 97 99 235 97.7 4.239 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1188 Contamination 8.2997 1162.6 2.3 scans 71% 281 m/z 2.3% 0.00946% 210 1.2 99 50442 0.0100% 511291 504462 540328 0-1 13: 281 147 369 282 283 370 265 207 371 249 191 284 251 0.964 8.41 -6.8 98 97 80 99 369 29.5 8.822 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1186 Phosphate 8.4860 1173.6 2.2 scans 90% 241 m/z 0.28% 0.0437% 228 1.2 218 412440 2362740 2196384 1-1 19: 241 242 256 133 211 243 163 195 135 98 59 89 181 137 119 257 164 121 212 0.996 8.56 -4.4 100 99 98 100 299 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LACTIC~1-N1034 Glycerol 10.0327 1264.5 5.0 scans 5.4% 147 m/z (71) 0.31% 0.123% 375 0.6 249 371396 6682161 6641428 0-1 20: 147 205 103 117 218 206 148 149 204 129 203 116 101 143 219 118 175 120 293 217 0.641 10.11 -4.5 82 87 55 90 293 17.2 0.474 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN VEN77_S6-N1002 Glycerol 10.0390 1264.8 6.3 scans 98% 299 m/z 0.014% 2.78% 376 0.3 1073 8154900 150242845 150242845 0-0 20: 299 300 73 314 301 133 283 315 207 211 193 191 316 302 135 74 225 75 284 131 1.000 10.09 -3.2 98 97 93 99 299 609.8 32.451 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1174 Proline 10.4294 1287.7 3.1 scans 59% 142 m/z (71) 1.5% 0.00867% 413 0.8 77 77792 468595 429978 5-1 3: 142 216 144 0.938 10.55 -6.7 91 93 89 95 142 59.6 59.580 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6535 1300.8 3.0 scans 54% 199 m/z (69) 1.3% 0.0326% 434 0.9 154 87733 1761680 1611582 11-1 16: 199 75 117 145 132 200 129 131 118 67 81 61 76 155 201 72 0.957 10.73 -4.8 94 95 91 99 209 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9902 1321.1 2.7 scans 64% 184 m/z 3.1% 0.00912% 466 0.9 91 37159 493095 465113 1-4 17: 184 134 285 174 86 77 100 185 227 59 286 172 135 186 175 110 130 0.977 11.06 -4.4 98 98 92 98 285 28.9 10.058 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3637 1343.6 3.9 scans 89% TIC 0.54% 0.0604% 502 0.8 190 217798 0.0899% 3266212 3224895 4857549 3-0 0.995 11.45 -4.9 98 97 97 99 145 54.8 8.325 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN TAB_REP6-N1026 Malic acid 13.4502 1472.4 2.5 scans 82% 73 m/z 0.96% 0.0250% 700 1.0 156 122969 1350981 1300451 3-1 19: 73 147 233 245 189 133 190 148 335 175 191 234 101 74 149 55 265 246 235 0.989 13.53 -5.2 94 93 90 94 335 18.2 1.363 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1044 Dodecanol 14.7128 1554.6 2.8 scans 87% TIC 0.46% 0.0453% 820 0.7 199 254215 0.0985% 2448370 2399029 5322231 5-0 0.982 14.24 31.2 96 97 96 99 243 107.7 29.173 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1775 1654.2 2.8 scans 74% 290 m/z (143) 0.37% 0.0500% 959 1.9 192 319691 2703287 2699841 0-1 12: 290 291 292 392 158 393 293 172 100 160 394 200 0.986 16.28 -6.9 94 94 91 99 392 27.5 2.047 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 2.8 scans 92% TIC 0.31% 0.102% 993 1.1 302 370614 0.144% 5543869 5346414 7780723 4-0 0.998 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1010 Glycerol-P 17.4675 1746.0 2.7 scans 96% 357 m/z 0.052% 0.954% 1082 0.7 907 2239704 51593161 49181215 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 101 103 301 387 133 256 129 218 328 0.999 16.97 36.5 96 99 98 99 445 147.2 2.635 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4271 1816.8 4.3 scans 94% 73 m/z 0.034% 2.09% 1173 0.5 1073 3403989 113047297 109101970 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 66 90 133 213 77 121 0.995 17.91 38.6 96 99 98 99 327 103.0 0.924 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1012 Phytol 18.5755 1828.1 3.9 scans 97% 68 m/z 0.045% 2.06% 1187 0.4 1130 2577455 2.25% 111556931 109080538 121573804 5-0 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 79 56 70 85 1.000 18.04 40.0 94 98 99 99 278 69.6 0.379 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1016 Hexadecene 18.6249 1831.9 2.6 scans 71% 70 m/z 0.29% 0.127% 1192 1.2 341 405144 1.54% 6896194 6365417 83210515 0-1 20: 70 69 71 57 55 83 111 56 125 126 97 280 84 85 140 67 112 98 68 82 0.998 18.10 39.5 85 85 93 97 280 51.6 2.287 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.7 scans 76% 285 m/z (70) 0.42% 0.0998% 1194 1.1 285 275928 5396021 5126104 9-1 20: 285 117 73 75 132 129 286 145 131 118 287 300 74 201 241 116 133 61 130 257 0.987 18.73 -6.3 96 97 91 98 300 27.4 0.923 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1002 Phytol 18.8min 18.8480 1848.9 2.7 scans 89% 81 m/z 0.45% 0.151% 1213 1.0 368 260518 8193642 7640611 1-4 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 278 53 56 110 0.990 18.84 0.6 98 97 99 99 278 43.7 1.412 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9343 1855.5 2.8 scans 55% 73 m/z (322) 1.9% 0.0166% 1221 0.7 111 60987 0.0237% 901687 792771 1280577 1-1 17: 73 103 307 217 147 308 277 104 309 218 133 189 74 205 364 89 172 0.992 18.40 40.5 87 94 92 94 364 11.0 0.973 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1018 Fructose 18.9343 1855.5 3.3 scans 57% TIC 1.8% 0.00668% 1221 1.1 113 62978 0.123% 361321 361321 6646035 0-0 0.984 18.52 31.2 89 91 92 92 364 11.0 0.945 0.409 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0932 1867.6 2.8 scans 94% 81 m/z 0.21% 0.335% 1236 0.9 531 549105 18154740 17712474 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.997 18.58 39.2 92 95 98 99 278 72.2 1.847 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN BRA4_R~2-N1004 Galactose 19.2562 1880.0 2.8 scans 32% 319 m/z 5.5% 0.00615% 1252 0.8 72 21537 0.00943% 332626 324127 509529 2-0 5: 319 205 160 320 321 0.904 19.36 -8.1 86 87 75 89 364 0.0 0.000 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1068 Galactopyranose 19.3330 1885.9 3.0 scans 51% 204 m/z 1.8% 0.0163% 1259 1.3 113 62718 0.0202% 882439 796679 1091463 1-4 8: 204 191 205 192 206 218 193 243 0.924 19.32 1.4 84 82 83 88 435 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9128 1931.7 3.0 scans 69% 204 m/z 0.31% 0.0887% 1314 1.3 264 379724 0.0965% 4793679 4427625 5214165 5-2 17: 204 217 205 159 147 206 129 218 103 160 219 305 145 291 243 203 130 0.871 19.91 0.0 90 89 87 96 361 11.3 0.182 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1038 C16:0 21.1555 2033.1 4.0 scans 98% 117 m/z 0.030% 2.15% 1432 0.4 1137 3870615 116572772 114580188 1-1 20: 117 73 75 132 129 145 314 55 131 133 118 315 57 69 201 74 116 130 83 146 1.000 20.62 44.8 94 99 99 100 328 131.7 1.343 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6573 2075.2 2.8 scans 61% 305 m/z 1.1% 0.0433% 1480 1.0 191 98824 2344670 2238677 4-1 17: 305 217 318 147 191 306 319 265 218 307 432 367 320 291 433 219 393 0.955 21.75 -7.7 95 95 93 95 507 12.9 0.456 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9604 2100.7 3.4 scans 55% 327 m/z 1.6% 0.0348% 1509 1.2 156 73960 0.0419% 1884387 1775916 2263974 1-3 10: 327 117 132 328 145 342 329 283 146 343 0.943 22.33 -32.3 94 97 92 98 342 20.3 1.699 -0.370 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1824 2120.1 3.7 scans 18% 396 m/z (143) 4.2% 0.00814% 1530 1.5 69 27846 0.0104% 439949 420976 561941 1-1 6: 396 219 397 381 398 382 0.888 22.19 -0.4 82 83 48 90 396 35.6 26.550 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1040 Phytol 22.6159 2158.0 6.7 scans 81% TIC 0.087% 0.338% 1571 0.5 404 1350986 0.593% 18291911 18291911 32041452 0-0 0.982 22.08 46.5 80 83 90 96 181 7.0 0.000 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1915 2208.6 6.0 scans 93% 79 m/z 0.039% 4.59% 1626 0.2 1386 2981402 5.17% 248440871 237751875 279349586 0-2 20: 79 75 73 95 93 67 108 80 81 91 335 107 129 94 55 121 135 149 77 117 0.998 23.12 6.8 96 95 99 95 350 99.7 0.518 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3514 2223.3 >4 scans 44% TIC 0.43% 0.0277% 1641 1.2 217 270269 0.545% 1499866 1499866 29447877 0-0 0.950 23.34 1.5 87 86 79 96 286 34.4 2.512 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1036 C18:0 23.4187 2229.4 3.2 scans 76% TIC 0.082% 0.825% 1647 1.3 740 1428846 0.905% 44582330 43128826 48899686 0-1 0.831 22.89 47.6 92 98 96 99 356 92.1 1.549 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4335 2230.8 4.3 scans 47% 258 m/z 0.33% 0.287% 1649 1.0 401 353699 15523798 14887306 0-1 20: 258 348 265 349 259 305 138 120 274 115 379 293 266 137 144 331 364 164 170 152 0.573 23.26 16.2 93 94 66 94 379 38.1 0.902 0.176 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7260 2257.5 2.9 scans 41% 163 m/z 0.52% 0.0462% 1676 1.0 192 224206 2501140 2401067 2-4 7: 163 331 164 165 88 332 90 0.771 23.72 0.6 94 95 90 96 331 39.6 4.243 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1006 17-Methyltestosterone 23.8775 2271.3 3.3 scans 91% 143 m/z 0.052% 1.03% 1691 0.7 873 2263022 1.11% 55874162 52471607 59976410 2-4 20: 143 73 360 345 293 117 75 144 407 147 265 69 331 169 81 130 361 346 333 257 0.999 23.88 0.0 100 100 100 100 450 22.3 0.065 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1008 Steroid 23.97min 2280 23.9796 2280.7 3.0 scans 58% 143 m/z 0.44% 0.0645% 1701 0.8 243 263393 0.899% 3490225 3490225 48575489 0-0 17: 143 73 168 360 155 181 270 144 169 156 265 361 345 205 195 74 182 0.967 23.97 0.6 92 90 90 98 360 44.3 3.324 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0427 2286.4 3.2 scans 33% 143 m/z 0.82% 0.0434% 1706 1.3 186 142781 0.525% 2349023 2338225 28367221 0-1 19: 143 293 409 147 294 265 424 115 286 144 201 410 130 299 334 285 183 292 230 0.659 24.04 0.5 93 95 60 95 424 26.3 1.990 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1458 2295.9 3.4 scans 31% 204 m/z (143 117) 0.76% 0.0411% 1716 0.9 161 154978 0.0602% 2222435 2018688 3252775 0-8 4: 204 337 338 339 0.907 24.18 -3.2 80 84 82 88 581 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1816 2299.1 4.3 scans 73% TIC 0.25% 0.259% 1720 0.8 380 472564 0.417% 14004425 11143671 22531678 1-3 0.929 24.18 0.3 93 92 94 98 450 11.7 0.095 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1018 myo-Inositol 25.2148 2397.3 2.9 scans 61% 318 m/z 0.45% 0.109% 1818 1.0 288 260962 0.124% 5895340 5067244 6700067 14-1 17: 318 315 299 147 319 387 316 389 320 300 388 317 343 301 433 432 230 0.974 25.21 0.5 97 95 95 99 470 21.0 0.530 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2822 2403.9 4.1 scans 71% TIC 0.33% 0.216% 1824 0.9 372 356675 0.309% 11680241 10632335 16696136 0-4 0.942 25.28 0.2 97 97 96 98 464 7.7 0.043 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4017 2515.4 2.8 scans 72% 495 m/z 0.071% 0.279% 1931 0.8 499 1649986 0.293% 15117491 15011405 15831611 2-0 14: 495 496 363 273 245 130 497 259 359 364 257 377 274 365 0.921 26.35 5.4 92 92 90 92 495 76.5 2.349 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5616 2531.9 2.8 scans 36% 512 m/z 0.50% 0.0870% 1946 0.9 272 236234 4702863 4700540 0-1 16: 512 455 247 513 456 483 514 349 248 263 457 497 484 423 409 515 0.925 26.57 -1.2 95 94 79 96 512 91.7 11.346 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9383 2570.8 2.8 scans 81% 371 m/z 0.047% 0.678% 1982 0.7 744 2513101 36653722 34133793 10-1 17: 371 372 147 129 205 57 203 239 459 103 373 55 116 145 101 117 133 0.994 26.39 56.2 90 98 97 100 459 95.2 1.643 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN LQC1-N1008 Sucrose 27.4266 2621.9 2.9 scans 18% 361 m/z 0.60% 0.0476% 2028 1.0 202 194944 2574769 2455046 1-5 9: 361 362 437 363 438 439 364 365 440 0.535 27.59 -17.6 91 94 77 96 437 39.7 3.861 -0.164 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6191 2642.5 3.5 scans 55% 99 m/z (175) 0.15% 0.351% 2047 0.8 484 775262 0.877% 18972483 18972483 47386767 0-0 18: 99 71 189 205 145 173 296 287 100 544 368 187 227 240 190 113 247 274 0.994 27.64 -2.5 94 95 94 97 632 21.0 0.188 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0558 2689.1 2.9 scans 72% 57 m/z 0.14% 0.270% 2088 0.8 481 807556 0.326% 14634013 13578607 17614693 1-1 18: 57 71 85 55 69 97 56 113 83 70 127 84 141 111 98 155 112 58 0.986 28.06 -0.7 98 98 98 98 542 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1020 Contamination 28.25min 28.2431 2709.6 3.0 scans 53% 175 m/z 0.24% 0.116% 2106 1.0 315 492354 1.14% 6268454 6268454 61597394 0-0 17: 175 99 71 176 173 187 117 100 189 138 273 177 431 89 296 174 72 0.929 28.25 -1.1 93 93 95 95 602 16.4 0.270 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3851 2725.5 3.1 scans 63% 99 m/z 0.099% 0.294% 2119 1.5 555 1194713 1.03% 15918420 15918420 55653786 0-0 20: 99 71 189 173 171 283 103 73 385 145 117 187 273 184 75 185 287 100 288 286 0.986 28.41 -2.9 97 96 97 98 603 23.6 0.181 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5303 2741.9 3.0 scans 78% 99 m/z 0.076% 0.416% 2133 0.7 569 1551610 1.33% 22523492 21396224 71863627 0-1 18: 99 85 57 71 81 173 255 100 97 241 269 283 185 159 169 98 69 242 0.990 28.55 -2.3 95 92 98 99 559 23.9 0.177 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6766 2758.3 2.9 scans 64% 99 m/z 0.14% 0.167% 2147 1.0 390 803640 0.244% 9068259 8257624 13184004 2-0 17: 99 71 189 173 283 171 103 185 145 100 385 184 187 169 273 287 196 0.985 28.69 -1.1 99 99 97 99 603 11.7 0.090 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7386 2765.3 2.8 scans 80% 399 m/z 0.071% 0.441% 2153 0.7 623 1658994 0.480% 23855480 23145842 25935745 0-1 17: 399 400 73 147 129 205 203 487 103 401 55 83 116 145 101 117 267 0.990 28.19 61.4 87 96 95 99 487 78.5 1.590 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1032 Sterol 29.17min 2814 29.2079 2818.1 4.5 scans 88% 99 m/z 0.024% 1.20% 2197 0.6 802 4770030 1.26% 65027458 58912996 68081331 1-4 20: 99 71 81 100 283 97 356 98 57 73 169 257 109 241 72 55 157 357 171 117 0.999 29.17 4.4 92 88 96 99 355 74.1 0.859 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1034 Nonacosane 29.5194 2853.1 2.9 scans 59% 57 m/z 0.24% 0.148% 2227 1.1 356 477280 0.172% 8023429 7535600 9293642 3-0 20: 57 71 85 99 55 69 56 365 83 113 70 127 141 111 84 393 366 155 364 72 0.791 29.50 1.6 85 82 89 98 408 12.5 0.123 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8403 2889.2 3.0 scans 67% 57 m/z 0.28% 0.114% 2258 0.9 313 422092 0.131% 6199285 5976589 7078297 2-6 20: 57 71 85 55 99 69 83 56 113 70 127 84 111 141 98 155 86 112 58 72 0.972 29.83 1.5 91 87 96 99 408 19.7 0.397 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1038 Hexacosanol 30.1822 2929.2 2.8 scans 46% 439 m/z 0.47% 0.0446% 2290 0.9 196 247825 0.0464% 2413738 2184323 2507122 2-1 7: 439 440 441 89 61 442 423 0.976 30.17 1.1 100 100 98 100 439 106.3 29.439 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4274 2958.4 3.1 scans 41% 193 m/z 0.77% 0.0730% 2313 1.1 240 153662 3944834 3763251 1-2 13: 193 119 105 163 120 194 176 247 515 171 325 106 516 0.909 30.36 8.3 83 86 84 87 529 11.6 0.235 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4737 2963.9 2.9 scans 73% 57 m/z 0.17% 0.191% 2318 0.8 397 688534 0.199% 10340502 9547622 10752528 3-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 84 141 58 365 0.994 30.46 1.3 97 95 98 99 393 93.9 5.591 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2239 3053.0 3.0 scans 82% 57 m/z 0.086% 0.435% 2389 0.7 588 1377476 0.458% 23507413 21795066 24747023 1-3 20: 57 71 85 55 99 69 56 393 83 97 113 70 127 111 141 84 421 394 155 392 0.994 31.21 1.5 98 96 99 99 393 94.1 2.562 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1048 Hentriacontane 31.5364 3090.1 3.3 scans 85% 57 m/z (345) 0.065% 0.656% 2419 0.6 678 1820074 35454173 33476553 1-4 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 126 0.999 31.53 0.6 97 98 99 99 436 40.6 0.359 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6869 3107.9 3.4 scans 19% 204 m/z 1.4% 0.0109% 2433 1.0 118 83027 0.0721% 589728 524321 3895765 0-2 14: 204 205 597 73 217 337 598 103 147 218 361 338 206 599 0.865 31.68 1.3 87 88 81 90 597 16.2 1.868 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8331 3125.3 3.0 scans 87% 502 m/z 0.042% 0.653% 2447 0.6 730 2760583 35315418 35074683 1-0 16: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 505 193 0.989 31.79 4.9 100 99 98 100 502 354.8 23.681 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9573 3140.1 2.9 scans 75% 329 m/z 0.30% 0.340% 2459 0.8 526 383814 18418585 16955031 2-1 16: 329 129 368 458 353 95 330 119 107 121 105 328 145 369 93 91 0.993 31.87 10.7 97 95 95 99 458 78.2 2.212 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1204 3159.4 3.3 scans 53% 57 m/z 0.15% 0.237% 2474 0.8 435 774039 0.319% 12830349 12498645 17236464 2-0 20: 57 71 85 56 421 55 69 83 97 70 420 422 113 127 111 141 84 58 393 155 0.946 32.11 1.2 98 97 99 99 421 102.0 5.506 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5508 3210.5 3.2 scans 30% 457 m/z 0.74% 0.130% 2515 0.8 302 158197 0.207% 7043824 6569206 11184790 3-0 2: 457 458 0.917 32.71 -19.4 85 84 68 93 457 77.3 6.559 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1046 Stigmasterol 33.0095 3265.0 3.7 scans 84% 83 m/z (471) 0.10% 1.41% 2559 0.4 909 1117396 1.54% 76378330 73969702 83210515 6-1 17: 83 129 69 55 81 255 394 484 133 159 119 95 107 105 145 93 91 0.997 32.98 3.2 93 94 96 97 665 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3820 3309.3 4.2 scans 91% 217 m/z 0.047% 2.63% 2594 0.5 1219 2508456 142120965 139077600 2-0 20: 217 361 99 189 199 73 437 71 529 362 169 287 103 218 173 438 147 363 271 319 0.999 33.38 0.4 100 99 100 100 529 204.8 2.825 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN WTF2-N1034 b-Sitosterol 33.4914 3322.3 >4 scans 59% TIC 0.32% 0.295% 2605 0.7 500 360737 4.77% 15953613 15953613 257736465 0-0 0.994 32.88 73.0 81 93 91 96 486 78.5 2.460 0.614 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7608 3354.2 4.3 scans 86% 217 m/z 0.058% 1.81% 2630 0.5 1009 2008427 4.60% 98127136 96577902 248550889 0-3 20: 217 99 485 85 361 73 169 57 71 362 486 147 109 243 103 271 129 369 219 363 0.976 33.75 0.7 99 98 98 99 485 252.6 6.276 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2785 3415.7 8.6 scans 93% 499 m/z 0.023% 5.58% 2679 0.9 1283 5068562 301807008 293331405 3-1 13: 499 500 450 205 366 438 332 297 573 400 721 463 209 0.999 34.22 7.0 96 94 94 98 499 312.0 5.930 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N479_REP6.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.5983 3453.7 4.2 scans 73% 497 m/z 0.070% 0.643% 2710 0.9 604 1678643 0.744% 34766224 31859979 40200405 5-4 14: 497 596 361 597 498 598 362 96 331 319 271 363 316 451 0.956 34.59 0.7 93 91 65 96 596 134.2 4.947 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN EXBLK5S-N1006 Contamination 6.3647 1047.9 5.1 scans 22% 207 m/z 5.0% 0.00990% 26 3.1 60 19920 222891 221354 0-2 4: 207 295 208 209 0.854 6.63 -15.4 83 85 52 86 295 22.9 14.617 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN LQC1-N1192 Contamination 7.9746 1143.3 2.7 scans 98% 73 m/z 0.085% 0.756% 179 0.8 682 1166760 17023257 16586293 4-0 20: 73 147 133 235 220 148 59 146 72 74 86 89 75 103 160 100 149 131 134 236 0.997 7.99 -0.9 99 98 97 99 235 134.9 3.917 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN LQC1-N1186 Phosphate 8.5038 1174.7 2.2 scans 96% 241 m/z 0.15% 0.180% 230 1.0 387 655314 4058557 4058557 0-0 20: 241 242 133 73 211 163 256 243 135 195 59 98 89 137 147 119 134 121 257 212 0.999 8.56 -3.3 100 100 99 100 299 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN LQC1-N1180 Benzoic acid 9.6697 1243.2 3.5 scans 46% 179 m/z 4.9% 0.0151% 340 0.6 83 20306 0.0159% 339772 318824 357772 3-1 8: 179 105 135 77 180 194 51 136 0.847 9.76 -5.3 91 91 79 93 194 13.3 2.600 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN VEN77_S6-N1002 Glycerol 10.0443 1265.1 6.0 scans 98% 301 m/z 0.012% 7.01% 376 0.4 1507 8153930 157802390 157802390 0-0 20: 301 315 285 227 136 143 85 182 130 106 122 254 88 157 256 144 200 186 95 282 1.000 10.09 -2.9 98 96 92 99 299 836.0 30.951 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6651 1301.5 3.1 scans 77% 199 m/z 1.2% 0.0745% 435 0.8 209 80063 1676906 1616201 5-1 19: 199 75 73 117 145 129 132 131 200 118 74 76 81 61 201 155 72 53 133 0.882 10.73 -4.1 97 95 95 99 209 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0018 1321.8 3.3 scans 64% TIC 5.7% 0.0139% 467 1.3 83 17349 0.0500% 314368 262153 1125068 0-2 0.946 11.06 -3.7 91 92 82 92 285 26.0 9.915 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3753 1344.3 3.9 scans 81% 57 m/z 0.51% 0.120% 503 0.7 240 195960 0.131% 2708112 2581225 2947677 3-1 18: 57 97 115 145 127 69 55 56 129 59 111 109 58 72 87 83 146 201 0.962 11.45 -4.2 98 97 96 99 145 66.7 7.753 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN TAB_REP6-N1026 Malic acid 13.4565 1472.8 2.6 scans 75% 73 m/z 1.3% 0.0356% 700 1.1 158 72375 801847 769863 1-1 19: 73 147 233 245 189 133 148 190 175 55 74 149 101 191 335 234 72 59 171 0.951 13.53 -4.8 88 87 85 89 335 17.5 1.232 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9490 1504.0 2.6 scans 53% 156 m/z 5.0% 0.00507% 747 1.1 59 19857 114225 114225 0-0 5: 156 157 258 230 199 0.993 14.11 -10.7 84 82 76 89 273 0.0 0.000 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2646 1524.9 2.6 scans 54% 263 m/z 1.1% 0.0253% 777 1.0 134 85270 570386 564762 0-1 13: 263 264 278 265 447 279 175 239 342 448 133 128 129 0.976 14.33 -4.1 92 89 86 97 278 33.9 6.409 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6634 1551.4 7.9 scans 84% TIC 1.3% 0.0281% 815 1.8 131 75960 0.147% 632821 632821 3307699 0-0 1.000 14.16 33.1 92 95 92 96 250 23.7 3.243 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1044 Dodecanol 14.7160 1554.8 >4 scans 79% TIC 2.3% 0.0233% 820 1.1 123 42895 0.0669% 526055 526055 1505340 0-0 0.996 14.24 31.4 93 95 88 96 243 60.6 24.398 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 2.8 scans 72% 290 m/z (156) 1.3% 0.0413% 960 1.8 152 73474 929836 878901 2-2 9: 290 291 292 158 392 131 144 115 70 0.889 16.28 -6.3 84 81 76 97 392 17.2 1.286 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5332 1678.9 2.8 scans 57% 55 m/z 4.8% 0.00985% 993 1.0 85 20826 0.0211% 221805 205619 474779 2-1 12: 55 83 56 97 70 98 111 82 127 96 68 140 0.974 16.63 -6.5 82 83 81 82 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1010 Glycerol-P 17.4801 1746.9 3.0 scans 98% 357 m/z 0.030% 3.77% 1083 0.6 1536 3290871 84872763 84808351 1-0 20: 357 299 73 147 358 315 300 370 445 211 101 359 103 129 301 256 133 387 218 328 1.000 16.97 37.4 96 99 99 99 445 234.2 2.327 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4261 1816.7 4.0 scans 94% TIC 0.032% 4.54% 1173 0.5 1439 3044454 102229097 96812674 1-2 0.980 17.91 38.5 96 99 98 100 327 133.4 0.859 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1012 Phytol 18.5639 1827.2 3.2 scans 98% 68 m/z 0.051% 3.07% 1186 0.5 1323 1939892 3.34% 69120202 68419270 75154518 1-0 20: 68 95 82 57 69 123 55 81 83 67 71 97 96 109 124 111 56 79 70 85 1.000 18.04 39.1 94 98 99 99 278 75.7 0.327 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1016 Hexadecene 18.6228 1831.7 2.8 scans 92% TIC 0.24% 0.368% 1191 1.4 472 410872 7.88% 8282391 8051939 177310659 0-1 0.997 18.10 39.3 87 89 93 97 280 65.7 1.936 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6460 1833.5 2.7 scans 52% 285 m/z (70) 2.1% 0.0386% 1194 1.0 157 45959 0.966% 870243 833293 21736307 2-1 17: 285 117 75 132 129 286 145 118 131 116 300 61 241 201 76 130 146 0.946 18.73 -6.2 93 95 82 95 300 15.1 0.918 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1002 Phytol 18.8min 18.8512 1849.1 2.6 scans 96% 81 m/z 0.28% 0.478% 1213 1.0 579 350010 10771533 10290445 1-4 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 111 0.999 18.84 0.8 99 98 99 99 278 63.2 1.192 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0995 1868.1 2.8 scans 97% 81 m/z 0.14% 0.998% 1237 0.7 803 675583 22471280 22155506 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 109 96 124 278 111 56 53 1.000 18.58 39.7 93 95 98 99 278 103.7 1.666 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN BRA4_R~2-N1004 Galactose 19.2626 1880.5 2.7 scans 24% 319 m/z 12% 0.00390% 1252 0.9 52 7748 87958 87958 0-0 4: 319 205 160 320 0.955 19.36 -7.6 82 84 68 84 364 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9034 1931.0 2.6 scans 26% 299 m/z (204) 7.4% 0.0115% 1313 1.0 91 13391 0.0119% 258758 258758 267766 0-0 7: 299 132 231 145 300 146 116 0.900 19.97 -5.6 82 83 63 95 314 7.6 0.697 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9118 1931.7 2.7 scans 54% 204 m/z 1.6% 0.0262% 1314 1.0 133 62104 0.0282% 591696 514891 634538 6-3 11: 204 205 217 159 206 218 191 160 189 148 219 0.837 19.91 -0.0 92 92 86 93 361 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7840 2001.9 2.7 scans 96% TIC 0.24% 0.628% 1397 0.9 652 407826 0.641% 14150719 13673681 14423367 1-3 1.000 20.27 41.7 84 84 95 98 322 41.2 0.399 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1038 C16:0 21.1491 2032.5 3.5 scans 97% 313 m/z 0.037% 3.29% 1432 0.4 1315 2670685 74061029 72257465 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 118 133 57 69 201 315 74 269 116 1.000 20.62 44.2 94 99 99 100 328 146.3 1.239 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6595 2075.4 2.7 scans 60% 305 m/z 3.3% 0.0282% 1480 1.0 141 29923 634964 584183 3-2 16: 305 217 318 191 306 265 319 307 218 320 432 148 219 192 291 433 0.995 21.75 -7.5 91 91 87 91 507 7.4 0.277 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2761 2128.3 2.6 scans 33% 327 m/z 3.4% 0.0200% 1539 0.9 115 28781 450352 443931 3-0 11: 327 132 328 342 201 329 146 283 61 181 299 0.653 22.33 -4.7 93 94 63 95 342 16.4 2.059 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1042 C18:2 23.0442 2195.4 >6 scans 48% 75 m/z (73) 0.45% 0.636% 1612 1.5 467 221589 5.77% 14314097 13640256 129832805 3-0 20: 75 109 220 135 83 97 151 137 61 76 152 179 177 187 165 89 159 166 56 206 0.889 22.53 44.6 85 94 82 95 352 28.4 0.372 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1704 2206.7 5.1 scans 94% 79 m/z (357) 0.043% 8.12% 1624 0.2 1693 2314096 8.68% 182750511 167540637 195311741 0-6 20: 79 75 73 95 93 108 67 81 80 335 91 107 129 94 121 55 117 149 135 77 1.000 23.12 4.9 98 99 99 99 350 119.5 0.498 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1036 C18:0 23.4030 2228.0 2.7 scans 93% 341 m/z 0.13% 0.742% 1646 0.9 713 725729 16707491 16322785 1-3 20: 341 117 73 75 132 129 145 342 55 57 356 133 69 118 131 74 201 343 297 116 1.000 22.89 46.2 94 99 99 100 356 87.1 1.495 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1018 myo-Inositol 25.2148 2397.3 3.2 scans 80% TIC 0.50% 0.214% 1818 1.1 353 199635 0.322% 4819667 4599026 7245436 1-1 0.970 25.21 0.5 98 96 95 100 470 23.9 0.458 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6157 2436.9 3.1 scans 75% 91 m/z 0.31% 0.120% 1856 1.2 264 321133 2706998 2590946 1-4 19: 91 117 194 207 92 115 208 65 193 103 77 104 312 118 51 78 116 178 128 0.968 25.61 0.6 98 97 97 99 312 29.8 1.274 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2975 2504.6 3.1 scans 39% 204 m/z 1.5% 0.0318% 1921 1.0 135 64484 716521 563683 14-0 7: 204 217 205 219 206 218 305 0.933 25.86 43.9 89 97 89 97 361 6.5 0.000 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5585 2531.6 2.7 scans 46% 512 m/z (218) 1.2% 0.0569% 1946 0.9 193 80393 1280971 1280971 0-0 17: 512 455 247 513 456 514 483 248 349 263 457 484 497 234 249 235 409 0.969 26.57 -1.5 93 95 86 95 512 61.1 10.000 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9299 2569.9 2.7 scans 92% 371 m/z 0.058% 1.06% 1981 0.8 870 1711774 23989344 23375840 1-1 20: 371 73 372 147 57 129 205 203 239 55 71 103 373 459 116 75 145 101 85 117 1.000 26.39 55.3 91 98 98 100 459 104.2 1.438 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN LQC1-N1008 Sucrose 27.4213 2621.4 2.9 scans 39% 361 m/z 0.78% 0.0963% 2028 1.0 247 127840 2167852 2011740 0-5 11: 361 362 437 363 271 451 438 364 452 272 230 0.848 27.59 -18.1 97 97 87 97 437 43.5 3.110 -0.170 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7281 2764.1 2.8 scans 91% 399 m/z 0.10% 0.680% 2152 0.9 687 992087 15306750 15206274 0-1 20: 399 73 400 147 57 129 205 55 103 203 71 401 487 116 75 145 117 101 85 69 1.000 28.19 60.2 88 97 97 99 487 82.8 1.455 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN SQUALENE-N1017 Squalene STD 29.0817 2803.9 3.1 scans 50% TIC 0.87% 0.0313% 2185 1.4 183 114130 0.0955% 704839 704839 2148879 0-0 0.986 29.09 -1.2 87 87 94 87 410 9.0 0.244 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1034 Nonacosane 29.5141 2852.5 2.9 scans 80% 57 m/z 0.23% 0.271% 2226 0.9 419 428344 6120258 5976956 1-1 20: 57 71 85 55 99 56 69 83 365 97 70 113 127 84 111 141 393 366 58 364 0.998 29.50 1.0 95 93 98 99 408 14.3 0.117 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8361 2888.8 2.8 scans 81% 57 m/z 0.21% 0.269% 2257 1.1 430 463275 6058605 5731661 1-4 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 98 141 58 72 86 112 0.996 29.83 1.1 98 96 99 100 408 24.3 0.317 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4674 2963.1 2.8 scans 67% 57 m/z 0.38% 0.144% 2317 0.9 316 261901 0.262% 3243769 3141566 5895354 1-1 18: 57 71 56 85 393 55 83 99 70 97 392 113 394 127 84 58 141 86 0.997 30.46 0.5 99 99 98 99 393 69.2 4.804 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2334 3054.1 3.1 scans 92% 57 m/z 0.052% 1.46% 2390 0.6 929 1894401 32859365 31951674 1-1 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 141 84 155 98 421 58 0.999 31.21 2.6 98 96 99 100 393 136.8 2.170 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1048 Hentriacontane 31.5375 3090.2 3.0 scans 90% 57 m/z 0.054% 1.28% 2419 0.6 894 1824856 28954217 28673321 0-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 82 0.999 31.53 0.7 100 99 100 100 436 49.3 0.305 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8268 3124.6 3.0 scans 85% 502 m/z 0.085% 0.725% 2446 0.8 677 1167097 16315693 16222571 0-1 17: 502 237 503 73 236 238 504 57 277 221 71 223 74 208 239 505 193 0.997 31.79 4.2 100 99 98 100 502 316.3 21.848 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9626 3140.7 3.3 scans 91% 329 m/z 0.15% 1.59% 2459 0.6 943 658078 1.69% 35948829 34610031 38027286 1-1 20: 329 129 368 73 353 458 95 75 121 119 107 81 330 145 105 57 328 369 55 91 0.999 31.87 11.3 96 94 95 98 458 135.1 2.051 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1172 3159.1 3.0 scans 60% 57 m/z 0.25% 0.236% 2474 0.9 404 398640 0.504% 5323458 5187554 11340682 1-1 20: 57 71 56 85 421 55 69 83 99 97 70 113 422 420 127 111 84 141 58 82 0.993 32.11 0.9 99 99 99 99 421 85.4 4.474 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1046 Stigmasterol 32.9937 3263.1 4.4 scans 100% 73 m/z (309) 0.10% 2.90% 2557 0.5 1125 954583 65260902 65260902 0-0 20: 73 74 56 177 72 302 231 58 274 180 205 88 248 194 455 332 209 247 325 87 0.998 32.98 1.3 95 96 98 98 665 7.1 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1063 3276.5 3.2 scans 78% TIC 0.096% 0.686% 2568 1.0 682 1034129 2.72% 15448928 14980768 61203679 2-1 0.971 33.10 1.1 87 84 96 95 515 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN WTF2-N1034 b-Sitosterol 33.4946 3322.6 3.6 scans 84% 129 m/z 0.14% 1.64% 2605 0.6 955 695502 2.44% 37070827 34926856 54903300 3-2 20: 129 357 396 73 381 486 95 75 119 121 107 57 358 145 397 81 105 356 159 133 0.999 32.88 73.3 85 96 98 99 486 131.1 1.883 0.618 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.6008 3335.3 3.1 scans 68% 386 m/z 0.60% 0.548% 2615 0.9 577 166608 1.05% 12338835 11648537 23626420 3-7 7: 386 296 281 119 387 257 159 0.997 33.58 2.0 93 90 94 98 505 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7555 3353.6 3.5 scans 65% 218 m/z 0.13% 0.572% 2630 0.8 554 729838 12872041 12202409 1-3 14: 218 203 190 219 189 135 109 107 119 175 121 94 136 137 0.982 34.08 -38.8 87 90 92 95 498 34.9 0.398 -0.326 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5868 3452.3 3.7 scans 42% 596 m/z 0.36% 0.198% 2709 0.8 313 277705 4474020 4273439 1-4 16: 596 597 598 331 316 302 599 318 315 356 303 317 301 300 342 330 0.979 34.47 13.6 97 96 87 99 596 154.3 24.221 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN EXBLK5S-N1006 Contamination 6.3742 1048.4 2.1 scans 51% 207 m/z 0.88% 0.0191% 27 1.4 133 112627 552278 552001 0-1 14: 207 295 208 209 296 191 297 279 193 189 210 247 192 177 0.827 6.63 -14.9 95 95 64 96 295 47.3 12.614 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8547 1136.2 3.6 scans 42% 147 m/z 3.9% 0.00636% 168 0.9 66 25282 0.179% 183226 183226 5154698 0-0 6: 147 73 149 148 66 74 0.871 7.79 3.6 87 89 81 92 219 7.1 1.136 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1192 Contamination 8.0177 1145.9 2.6 scans 95% TIC 0.12% 0.412% 184 0.8 517 814182 11867390 11447833 5-0 0.992 7.99 1.7 99 98 97 99 235 104.4 4.081 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1188 Contamination 8.3113 1163.3 2.4 scans 84% 281 m/z 1.1% 0.0328% 211 1.2 162 85708 947187 938953 0-1 18: 281 147 369 282 283 370 265 207 371 148 249 191 149 284 193 266 251 267 0.962 8.41 -6.1 98 97 80 99 369 46.0 8.061 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1186 Phosphate 8.5386 1176.7 2.2 scans 87% 241 m/z 0.62% 0.0306% 233 1.1 165 159763 883490 867984 1-0 19: 241 242 133 211 163 243 256 135 195 98 89 59 119 212 137 164 134 167 165 0.996 8.56 -1.3 99 99 96 99 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN VEN77_S6-N1002 Glycerol 10.0590 1266.0 5.0 scans 97% 299 m/z 0.015% 3.40% 378 0.4 1173 6594237 98096361 97752781 1-0 20: 299 73 300 314 301 133 147 283 207 315 211 193 205 191 316 135 302 74 75 225 1.000 10.09 -2.0 98 97 92 99 299 673.0 33.085 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6819 1302.5 3.0 scans 75% 199 m/z 1.2% 0.0606% 437 0.7 186 78558 1745887 1631307 2-1 19: 199 75 117 145 200 132 129 131 118 74 67 81 76 61 79 201 155 133 72 0.815 10.73 -3.1 94 93 91 99 209 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1168 Glyceric acid 10.9576 1319.1 3.0 scans 71% TIC 3.8% 0.00952% 463 1.2 91 25868 0.0636% 274285 274285 1831502 0-0 0.992 11.05 -5.8 93 93 84 93 292 25.8 8.026 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0112 1322.3 2.6 scans 69% 184 m/z 3.4% 0.0137% 468 1.0 102 28844 0.0140% 395398 387567 403161 2-0 16: 184 134 285 174 77 286 86 100 185 59 227 135 178 172 186 175 0.998 11.06 -3.2 94 94 83 95 285 30.3 8.897 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3848 1344.8 4.4 scans 74% 57 m/z (84) 0.57% 0.0990% 504 0.6 206 174611 0.107% 2852113 2690453 3081300 3-2 20: 57 97 115 145 127 69 55 129 56 59 111 109 128 58 72 87 98 83 146 116 0.973 11.45 -3.7 96 98 96 99 145 59.7 8.425 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1146 Malic acid 13.4607 1473.0 2.5 scans 94% 73 m/z 0.18% 0.190% 701 1.0 388 552393 5484732 5483690 1-0 20: 73 147 233 245 133 189 148 190 75 74 191 175 149 55 101 335 234 59 265 217 0.986 13.62 -9.8 99 98 97 98 350 9.3 0.058 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9553 1504.4 2.7 scans 29% 156 m/z 4.4% 0.00513% 748 1.0 60 22388 147883 147883 1-0 5: 156 157 232 258 230 0.964 14.11 -10.3 82 79 76 92 273 0.0 0.000 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2688 1525.2 2.7 scans 63% 263 m/z 0.91% 0.0312% 778 0.9 147 109675 900745 900745 0-0 12: 263 264 278 447 265 279 448 174 247 207 449 149 0.954 14.33 -3.8 84 78 80 95 278 34.0 5.397 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1044 Dodecanol 14.7202 1555.1 2.8 scans 59% 243 m/z 2.1% 0.0153% 821 1.1 101 46816 441507 441507 1-0 9: 243 244 89 97 245 101 61 76 115 0.961 14.24 31.7 92 95 86 96 243 56.7 31.342 0.478 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 2.8 scans 70% 290 m/z (156) 1.2% 0.0339% 960 1.8 140 77518 977329 928063 1-2 9: 290 291 292 158 392 144 115 393 293 0.981 16.28 -6.3 85 82 76 98 392 16.7 1.412 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN TAB_REP6-N1042 Ribose 16.2922 1662.2 4.0 scans 64% TIC 2.6% 0.0234% 970 3.1 108 37546 0.0839% 675176 675176 2416085 0-0 0.969 16.10 13.2 87 86 81 90 307 29.1 7.226 0.189 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5332 1678.9 3.1 scans 60% TIC 3.1% 0.00826% 993 0.9 100 32018 0.0632% 237887 237887 1819983 0-0 0.987 16.63 -6.5 87 87 88 87 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1010 Glycerol-P 17.4612 1745.6 2.5 scans 92% 357 m/z 0.17% 0.432% 1081 1.0 578 567179 12451823 11891479 1-1 20: 357 299 73 358 147 315 300 445 370 211 101 103 359 133 301 387 129 256 75 218 0.985 16.97 36.1 96 99 98 99 445 88.6 2.348 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN TAB_REP6-N1048 Citric acid 18.2356 1802.2 3.2 scans 81% TIC 0.73% 0.0837% 1155 1.2 223 136737 0.0950% 2410527 2156276 2735734 0-1 0.984 18.24 -0.6 95 93 88 99 465 29.2 1.712 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4261 1816.7 4.0 scans 87% 73 m/z 0.031% 3.36% 1173 0.5 1265 3167601 96793034 95836013 0-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 134 78 58 133 77 213 66 75 0.930 17.91 38.5 94 99 93 99 327 122.1 0.932 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1012 Phytol 18.5629 1827.1 3.0 scans 98% 68 m/z 0.055% 2.18% 1186 0.5 1151 1812117 2.36% 63032439 62333176 67961384 1-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 110 70 1.000 18.04 39.0 94 98 99 99 278 68.3 0.352 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1016 Hexadecene 18.6218 1831.6 2.9 scans 89% TIC 0.27% 0.261% 1191 1.6 399 361432 5.76% 7518949 7067993 165871852 0-1 0.998 18.10 39.2 85 85 93 97 280 56.4 1.996 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6460 1833.5 2.8 scans 61% 285 m/z (70) 1.3% 0.0481% 1194 1.0 178 74461 1385933 1329951 2-1 16: 285 117 75 132 129 145 286 118 131 201 287 116 300 241 61 130 0.958 18.73 -6.2 94 95 84 95 300 17.3 0.943 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1076 Pregnane?? 18.7670 1842.7 2.6 scans 64% 345 m/z 2.1% 0.0235% 1205 1.1 133 46356 0.0315% 677878 673555 907112 0-1 14: 345 255 346 147 347 334 256 435 148 257 193 239 243 149 0.933 18.86 -7.0 81 81 73 81 537 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8512 1849.1 2.7 scans 94% 81 m/z 0.31% 0.438% 1213 1.0 548 318395 12637207 11823560 1-7 19: 81 264 82 95 68 57 123 69 55 67 83 79 71 96 124 97 109 279 265 0.998 18.87 -1.5 94 91 95 97 278 60.6 1.223 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9416 1856.0 2.7 scans 76% 73 m/z 0.71% 0.0632% 1222 1.0 214 139108 0.0776% 1822276 1687429 2234662 3-2 20: 73 103 307 217 147 308 277 218 133 104 189 74 205 364 117 309 219 89 172 148 0.990 18.40 41.0 92 95 95 99 364 20.2 0.892 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1018 Fructose 19.0606 1865.1 2.9 scans 51% 73 m/z 1.0% 0.0453% 1233 1.2 175 99657 0.0969% 1305240 1140128 2790448 1-5 20: 73 103 307 217 147 308 277 218 309 364 262 104 205 89 74 219 189 148 133 117 0.968 18.52 40.8 86 91 90 95 364 18.2 1.074 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1002 Phytol 18.8min 19.0984 1868.0 2.9 scans 97% TIC 0.16% 0.786% 1237 0.6 689 616715 22659902 21894778 1-1 0.999 18.84 19.7 93 91 98 92 278 90.9 1.738 0.258 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0995 1868.1 2.8 scans 96% 81 m/z 0.16% 0.724% 1237 0.8 687 617798 20873854 20710766 1-0 20: 81 82 68 95 57 123 69 55 83 79 71 67 97 109 96 124 278 111 53 56 1.000 18.58 39.7 93 95 98 99 278 90.9 1.749 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN BRA4_R~2-N1004 Galactose 19.2615 1880.4 2.6 scans 72% 319 m/z 0.92% 0.0536% 1252 1.0 199 107758 0.100% 1546118 1419392 2879720 0-1 16: 319 205 160 147 320 217 321 103 206 229 148 207 161 189 157 89 0.990 19.36 -7.7 95 95 92 96 364 12.8 0.413 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9044 1931.1 2.8 scans 30% 299 m/z (204) 3.8% 0.0204% 1313 1.3 110 26045 587893 518932 2-1 10: 299 117 132 300 145 231 146 201 314 76 0.848 19.97 -5.5 84 84 66 98 314 11.4 1.064 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9128 1931.7 2.5 scans 55% 204 m/z 0.86% 0.0349% 1314 1.0 162 115175 1006782 913313 3-3 13: 204 159 217 205 206 218 191 160 219 291 305 203 243 0.826 19.91 0.0 92 91 87 94 361 6.9 0.180 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2769 1961.0 2.7 scans 35% 204 m/z 3.0% 0.0100% 1349 1.2 83 32801 289807 264550 3-1 8: 204 191 205 206 192 189 218 193 0.978 20.41 -11.0 80 80 80 83 217 18.5 4.930 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7914 2002.5 3.0 scans 96% TIC 0.14% 0.957% 1398 0.7 771 673774 0.984% 27583524 27166263 28336441 1-1 1.000 20.27 42.3 82 82 94 98 322 52.1 0.455 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1038 C16:0 21.1597 2033.4 3.6 scans 97% 313 m/z 0.025% 3.81% 1433 0.3 1401 3901875 110004420 107786671 0-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 315 57 69 269 74 285 1.000 20.62 45.1 94 99 99 100 328 161.8 1.334 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6616 2075.6 2.8 scans 50% 305 m/z 2.2% 0.0296% 1480 1.1 143 44753 854939 821171 3-1 16: 305 217 318 147 191 306 265 319 218 307 320 367 192 432 433 291 0.922 21.75 -7.3 90 90 76 90 507 8.8 0.380 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN FAME-N1014 C18:0-methyl ester 22.0835 2111.5 2.9 scans 31% 74 m/z 2.8% 0.0151% 1520 1.0 100 35394 435208 428666 1-0 8: 74 87 298 255 267 199 88 59 0.770 22.28 -16.8 87 89 79 89 298 20.7 4.250 -0.192 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1761 2119.6 3.1 scans 11% 396 m/z (143) 11% 0.00337% 1529 1.2 46 8537 0.00390% 97296 97296 112309 0-0 5: 396 219 397 381 220 0.806 22.19 -0.9 80 85 44 85 396 24.2 28.219 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2782 2128.5 2.9 scans 52% 327 m/z 1.9% 0.0408% 1539 0.9 163 50533 0.0497% 1175828 1071489 1431221 1-8 11: 327 132 145 328 342 329 201 283 343 299 146 0.891 22.33 -4.5 96 96 89 97 342 18.6 1.312 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1042 C18:2 23.0515 2196.0 >5 scans 90% 73 m/z (341) 0.18% 1.07% 1612 1.1 624 555385 8.26% 30950505 28558413 237864843 5-0 20: 73 117 129 145 74 97 191 118 57 285 230 225 148 239 229 159 241 213 181 142 0.990 22.53 45.2 83 88 95 99 352 33.4 0.286 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1915 2208.6 6.5 scans 92% 79 m/z (357) 0.038% 8.85% 1626 0.2 1609 2608333 9.71% 254938760 252460705 279620778 0-1 20: 79 75 73 95 93 67 108 80 91 81 107 94 121 129 55 135 149 77 335 122 0.999 23.12 6.8 95 96 99 96 350 112.8 0.492 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1036 C18:0 23.4114 2228.7 2.8 scans 93% 341 m/z 0.090% 0.939% 1647 0.7 777 1102840 27063168 26138359 2-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 69 118 201 343 74 297 116 1.000 22.89 46.9 93 99 99 100 356 98.7 1.612 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1448 2295.8 3.3 scans 40% 204 m/z (117) 1.1% 0.0364% 1716 1.0 137 87847 0.0438% 1050085 939939 1261317 1-11 14: 204 205 217 147 337 103 206 219 218 361 203 148 305 189 0.900 24.01 12.3 88 90 88 93 490 0.0 0.000 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1018 myo-Inositol 25.2159 2397.4 2.9 scans 37% 318 m/z 1.9% 0.0396% 1818 1.1 154 51887 1141528 959640 8-7 17: 318 315 299 183 387 319 316 389 300 388 320 317 184 301 432 345 343 0.810 25.21 0.6 91 90 69 94 470 11.1 0.524 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6199 2437.3 3.2 scans 54% 91 m/z 0.49% 0.0618% 1856 1.2 185 200534 1782455 1581468 3-5 19: 91 117 194 207 92 208 115 65 193 312 77 104 51 118 78 178 63 128 179 0.947 25.61 1.0 97 97 97 98 312 21.8 1.381 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3007 2504.9 3.2 scans 25% 204 m/z 1.5% 0.0239% 1921 0.9 122 66116 0.0246% 688586 465034 708411 18-0 8: 204 217 205 219 206 218 305 220 0.929 25.86 44.2 86 93 89 96 361 6.9 0.000 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5596 2531.7 2.8 scans 32% 512 m/z (218) 1.3% 0.0485% 1946 1.0 180 76301 1398792 1397617 0-1 16: 512 455 247 513 456 483 514 248 263 349 457 497 423 235 409 234 0.931 26.57 -1.4 93 95 84 96 512 61.2 11.525 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9373 2570.7 2.8 scans 91% TIC 0.040% 1.22% 1982 0.6 921 2443963 1.24% 35208355 34397940 35708524 4-1 1.000 26.39 56.1 90 97 97 100 459 114.4 1.547 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7323 2764.6 2.8 scans 89% 399 m/z 0.067% 0.783% 2152 0.8 728 1472019 22561413 20559331 1-1 20: 399 73 400 147 129 57 205 203 103 55 401 71 487 116 145 75 117 85 101 69 0.999 28.19 60.7 88 96 97 99 487 90.8 1.556 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN SQUALENE-N1017 Squalene STD 29.0859 2804.4 2.9 scans 58% 69 m/z 0.45% 0.0733% 2186 1.1 231 222166 2113613 1920072 1-1 18: 69 81 137 136 68 95 121 93 67 123 149 70 109 82 107 135 94 53 0.982 29.09 -0.7 91 91 95 91 410 10.9 0.225 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1032 Sterol 29.17min 2814 29.1753 2814.4 3.9 scans 31% TIC 0.98% 0.00862% 2194 1.2 132 101392 0.0907% 248343 248343 2611906 0-0 0.952 29.17 0.7 86 86 86 87 355 12.0 0.824 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1034 Nonacosane 29.5152 2852.7 3.1 scans 75% 57 m/z 0.26% 0.195% 2227 1.0 356 373472 5639264 5479877 1-2 20: 57 71 85 55 99 69 56 365 97 83 70 113 127 111 141 84 366 393 364 58 0.996 29.50 1.2 96 94 98 99 408 12.5 0.124 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8382 2889.0 2.8 scans 78% 57 m/z 0.23% 0.215% 2257 1.0 378 431255 6192929 5811520 1-7 20: 57 71 85 55 99 69 83 56 97 113 70 84 127 111 98 58 141 86 112 155 0.996 29.83 1.3 97 95 99 100 408 22.3 0.347 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1038 Hexacosanol 30.1823 2929.2 3.1 scans 14% 439 m/z (193) 3.3% 0.00974% 2290 1.1 78 29528 0.0130% 280574 280574 374364 0-0 4: 439 440 441 327 0.851 30.17 1.1 93 96 78 98 439 45.0 33.320 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4695 2963.4 3.0 scans 60% 57 m/z (193) 0.46% 0.123% 2317 0.8 264 217295 0.245% 3568081 3359921 7055313 0-2 18: 57 71 56 85 393 55 99 83 97 70 392 394 113 127 84 58 141 365 0.974 30.46 0.8 96 97 98 99 393 58.4 4.885 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2345 3054.2 3.3 scans 91% 57 m/z 0.049% 1.36% 2390 0.6 881 2021295 39330827 37816957 1-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 155 421 98 169 0.998 31.21 2.7 97 94 98 100 393 135.4 2.364 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1048 Hentriacontane 31.5407 3090.6 3.3 scans 87% 57 m/z 0.049% 1.26% 2419 0.6 855 2006335 36519046 35718672 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 1.000 31.53 1.1 98 97 100 99 436 49.1 0.330 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8321 3125.2 2.8 scans 87% 502 m/z 0.056% 0.775% 2447 0.7 729 1777530 22318997 21960007 1-0 17: 502 237 503 73 236 238 504 57 277 221 223 208 71 239 74 505 193 0.994 31.79 4.8 100 99 98 100 502 349.4 23.008 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9657 3141.1 3.4 scans 86% 329 m/z 0.15% 1.19% 2459 0.6 816 627513 34485855 34485855 0-0 18: 329 129 368 458 353 95 75 121 119 107 330 81 145 105 328 369 93 91 0.998 31.87 11.7 96 95 95 98 458 120.1 2.166 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1173 3159.1 3.0 scans 45% 57 m/z 0.22% 0.213% 2474 0.9 387 439247 0.431% 6149894 5919173 12411592 1-1 19: 57 71 85 56 421 83 69 99 97 70 113 420 422 111 127 84 141 58 125 0.987 32.11 0.9 99 98 99 99 421 86.2 4.947 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1046 Stigmasterol 32.9832 3261.9 4.8 scans 100% 73 m/z (309) 0.11% 2.20% 2556 1.4 987 834363 63527872 63527872 0-0 18: 73 74 342 219 441 319 325 262 320 233 259 223 385 251 246 347 337 488 0.992 32.98 0.1 95 95 98 97 665 10.3 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1074 3276.6 3.0 scans 74% 57 m/z 0.084% 0.682% 2568 0.8 664 1187800 19640999 18433668 1-5 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 125 0.977 33.10 1.2 88 86 96 94 515 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN WTF2-N1034 b-Sitosterol 33.4977 3323.0 3.7 scans 81% 357 m/z 0.14% 1.44% 2605 0.5 847 672177 1.73% 41610274 39262827 49819150 13-3 17: 357 129 396 486 381 95 119 107 397 358 121 81 145 356 105 159 93 0.998 32.88 73.7 85 98 98 99 486 121.2 2.048 0.621 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6051 3335.8 3.2 scans 68% 386 m/z 0.49% 0.480% 2615 0.9 544 201237 13839724 13083434 1-2 11: 386 296 281 387 119 107 257 105 93 159 121 0.993 33.58 2.5 93 90 94 98 505 3.8 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7608 3354.3 3.6 scans 66% 218 m/z 0.11% 0.542% 2630 0.8 539 906550 15610532 14861052 1-4 17: 218 203 219 190 189 95 135 107 109 175 119 121 105 93 136 94 137 0.987 34.08 -38.1 87 90 91 95 498 35.2 0.425 -0.321 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4353 3434.4 3.6 scans 12% 271 m/z 4.3% 0.0225% 2694 1.4 124 23234 0.0759% 650663 564388 2185707 13-0 16: 271 331 506 241 109 475 507 272 223 127 491 289 332 476 273 257 0.818 34.59 -18.2 88 90 68 91 596 0.0 0.000 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5857 3452.2 3.9 scans 47% 596 m/z 0.32% 0.199% 2708 0.9 305 310559 5756596 5305586 13-2 18: 596 597 598 331 316 302 318 315 356 332 303 317 300 341 342 301 357 600 0.959 34.47 13.5 96 94 83 99 596 146.0 22.864 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 1.9 scans 66% 207 m/z 0.74% 0.0202% 27 1.3 164 133469 0.0220% 731895 731895 793812 0-0 15: 207 295 208 209 296 191 297 279 210 189 193 177 247 192 119 0.963 6.63 -15.0 97 96 89 97 295 52.7 10.305 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8799 1137.7 3.6 scans 35% 147 m/z 5.1% 0.00343% 171 0.8 59 19254 0.102% 123823 123823 3680401 0-0 5: 147 73 66 148 149 0.938 7.79 5.1 89 91 82 90 219 6.5 1.187 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1192 Contamination 8.0408 1147.2 2.6 scans 96% 73 m/z 0.15% 0.279% 186 0.6 473 638757 10070837 9372507 5-1 20: 73 147 133 220 235 148 59 146 72 86 160 74 89 75 100 103 149 131 134 221 0.999 7.99 3.0 96 94 94 97 235 92.7 3.843 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1188 Contamination 8.3165 1163.6 2.2 scans 74% 281 m/z 1.8% 0.0148% 212 1.1 129 53111 536328 532595 0-2 17: 281 147 369 282 283 370 207 265 148 371 249 149 191 284 251 267 193 0.960 8.41 -5.8 98 97 81 99 369 38.1 8.731 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1186 Phosphate 8.5617 1178.1 2.2 scans 92% 241 m/z 0.37% 0.0448% 235 1.3 220 269654 1620053 1572448 1-1 20: 241 242 133 211 73 243 163 256 195 135 98 59 89 181 137 121 257 119 164 212 0.999 8.56 0.1 100 99 97 99 299 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1180 Benzoic acid 9.7159 1245.9 3.5 scans 29% 179 m/z 7.4% 0.00757% 345 0.6 62 13379 0.00810% 273344 217081 292267 4-0 5: 179 105 135 180 51 0.538 9.76 -2.6 85 82 75 94 194 9.3 2.296 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN VEN77_S6-N1002 Glycerol 10.0789 1267.2 6.0 scans 94% 299 m/z 0.011% 4.86% 380 0.3 1410 8347479 175554546 171063907 1-1 20: 299 300 301 315 316 74 208 285 209 303 121 226 253 213 267 136 255 210 270 91 0.997 10.09 -0.8 98 97 93 98 299 763.2 29.469 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6987 1303.5 3.4 scans 66% 199 m/z 1.4% 0.0536% 438 0.6 187 69798 1937192 1932820 1-0 19: 199 75 117 145 132 200 129 131 76 74 67 118 61 201 79 81 133 155 72 0.742 10.73 -2.1 94 91 90 99 209 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0343 1323.7 2.8 scans 45% 184 m/z 8.2% 0.00590% 470 0.8 71 12093 213141 201676 1-1 7: 184 285 134 174 100 86 185 0.958 11.06 -1.8 83 82 57 88 285 19.8 7.805 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4016 1345.8 6.1 scans 79% TIC 0.61% 0.0945% 505 0.6 201 162775 0.125% 3412105 3133182 4510295 1-0 0.935 11.45 -2.7 96 95 93 98 145 57.4 8.106 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9689 1505.3 2.8 scans 36% 156 m/z 2.8% 0.00637% 749 1.1 75 34600 230074 230074 1-0 6: 156 258 157 230 199 158 0.808 14.11 -9.4 87 86 81 92 273 0.0 0.000 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2825 1526.1 2.8 scans 61% 263 m/z 0.75% 0.0261% 779 1.0 153 131719 943788 909246 1-1 11: 263 264 278 239 265 342 279 175 335 343 149 0.968 14.33 -2.9 83 77 83 96 278 37.1 5.881 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6813 1552.5 >4 scans 77% TIC 1.0% 0.0191% 817 1.4 134 96136 0.154% 689212 689212 5556684 0-0 0.990 14.16 34.2 92 94 90 97 250 25.1 3.526 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1044 Dodecanol 14.7318 1555.9 7.7 scans 78% TIC 1.2% 0.0247% 822 0.9 142 78673 0.0716% 892469 892469 2583497 0-0 0.970 14.24 32.5 93 95 92 97 243 74.1 27.063 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1975 1655.6 3.0 scans 45% 290 m/z (195) 1.1% 0.0204% 961 1.6 120 88630 0.0263% 737990 706134 948966 1-0 10: 290 73 291 292 392 158 144 74 115 100 0.956 16.28 -5.5 96 98 88 98 392 17.8 2.187 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5468 1679.8 2.9 scans 72% TIC 1.5% 0.0196% 994 0.6 145 63543 0.0761% 707298 671231 2745868 2-0 0.971 16.63 -5.6 91 92 91 92 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1010 Glycerol-P 17.4875 1747.5 4.2 scans 88% 85 m/z 0.031% 2.63% 1084 0.6 1352 3126889 9.30% 95152515 95152515 335565953 0-0 20: 85 55 57 71 111 83 153 449 70 161 125 97 190 139 56 311 126 430 53 162 1.000 16.97 38.0 96 99 99 99 445 213.2 2.489 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4376 1817.6 4.4 scans 94% TIC 0.032% 3.01% 1174 0.5 1277 3122727 5.28% 108840310 99184611 190514864 1-4 0.982 17.91 39.4 95 99 98 99 327 121.8 0.911 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1012 Phytol 18.5818 1828.6 3.6 scans 96% 68 m/z 0.055% 2.05% 1188 0.4 1161 1796820 2.37% 74170886 70792254 85515194 5-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 110 70 1.000 18.04 40.5 94 98 99 99 278 69.1 0.355 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1016 Hexadecene 18.6375 1832.8 2.5 scans 87% 70 m/z 0.19% 0.226% 1193 1.0 460 501943 1.32% 8154777 7839495 47628716 0-1 18: 70 69 55 57 71 83 56 111 125 97 126 84 280 85 140 67 112 98 0.974 18.10 40.4 87 88 96 97 280 69.5 2.288 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6586 1834.4 2.6 scans 42% 285 m/z (70) 1.5% 0.0307% 1195 1.0 164 65673 0.621% 1110031 1014488 22407146 4-1 18: 285 117 75 132 129 286 145 118 131 201 287 116 61 300 130 76 241 257 0.952 18.73 -5.3 93 95 83 95 300 15.5 0.889 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8658 1850.3 2.8 scans 95% 81 m/z 0.29% 0.315% 1214 1.0 507 334521 11371943 10955091 1-3 20: 81 82 68 95 57 123 69 55 83 67 79 71 96 124 97 109 278 56 53 110 0.999 18.58 21.9 96 95 98 99 278 58.5 1.331 0.287 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1002 Phytol 18.8min 19.1121 1869.0 2.8 scans 96% 81 m/z 0.13% 0.678% 1238 0.8 769 754832 24483269 23844237 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.84 20.7 93 91 98 93 278 104.9 1.860 0.272 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN BRA4_R~2-N1004 Galactose 19.2730 1881.3 2.7 scans 27% 319 m/z 6.5% 0.00527% 1253 0.9 69 15370 190257 190257 0-0 5: 319 160 320 321 206 0.976 19.36 -6.8 86 87 77 87 364 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9254 1932.7 2.7 scans 76% 204 m/z 0.32% 0.0864% 1315 1.3 274 308485 3119587 2846856 3-2 18: 204 217 159 205 147 206 129 218 103 191 189 133 160 219 291 148 305 207 0.973 19.91 1.0 97 95 94 98 361 12.9 0.224 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8050 2003.6 2.8 scans 94% 75 m/z (344) 0.12% 0.861% 1399 0.7 829 788362 31089447 28608441 7-1 20: 75 73 79 67 93 95 91 129 108 80 55 81 117 94 307 121 77 107 135 145 1.000 20.27 43.4 82 85 95 99 322 53.5 0.417 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1038 C16:0 21.1723 2034.5 3.5 scans 95% 313 m/z 0.025% 3.04% 1434 0.4 1441 3969180 109966140 100591725 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 201 57 69 74 269 315 116 1.000 20.62 46.2 94 99 99 100 328 164.8 1.308 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6721 2076.5 2.9 scans 49% 305 m/z 1.8% 0.0279% 1481 1.0 155 53137 1008071 1001468 2-0 17: 305 217 318 147 191 306 265 319 218 307 432 192 367 320 433 291 219 0.936 21.75 -6.4 92 92 78 92 507 10.8 0.482 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2929 2129.8 3.1 scans 37% 327 m/z (204) 1.9% 0.0360% 1540 1.1 162 51611 0.0489% 1299278 1172843 1764427 1-7 8: 327 132 328 342 329 283 299 146 0.968 22.33 -3.2 94 96 91 97 342 19.7 1.471 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1042 C18:2 23.0810 2198.6 >4 scans 62% 337 m/z (342) 0.26% 0.627% 1615 0.4 571 375029 2.96% 22638350 21937721 106803787 1-0 13: 337 262 338 178 164 96 109 138 339 152 352 165 166 0.976 22.53 47.8 85 94 95 97 352 33.5 0.344 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 7.4 scans 91% 79 m/z (357) 0.036% 7.85% 1628 0.2 1659 2732822 8.59% 283272131 283251530 309947477 0-1 20: 79 75 95 93 73 67 108 80 81 91 107 94 121 55 129 77 135 335 149 122 0.999 23.12 8.8 95 96 99 96 350 115.8 0.487 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1036 C18:0 23.4250 2230.0 2.7 scans 92% 341 m/z 0.080% 0.772% 1648 0.8 827 1243327 27857207 26392917 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 74 201 343 116 297 1.000 22.89 48.2 93 99 98 99 356 105.7 1.633 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1594 2297.1 3.3 scans 27% 204 m/z (333) 0.91% 0.0265% 1718 0.9 135 108815 0.0365% 957029 920626 1317006 0-5 16: 204 205 217 337 147 103 206 338 361 218 219 191 339 148 243 189 0.865 24.01 13.6 86 88 69 89 490 0.0 0.000 0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1594 2297.1 3.3 scans 28% 204 m/z 0.92% 0.0250% 1718 0.9 139 107802 0.0344% 902165 867849 1241233 0-5 16: 204 205 217 337 147 103 206 338 361 218 219 191 339 148 243 189 0.648 24.18 -2.0 87 88 69 89 581 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1018 myo-Inositol 25.2285 2398.6 3.5 scans 72% TIC 0.47% 0.152% 1819 1.5 333 210204 0.255% 5501445 5187033 9201002 1-0 0.944 25.21 1.8 97 95 93 100 470 21.8 0.430 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6378 2439.1 3.6 scans 44% 91 m/z 0.67% 0.0389% 1858 1.5 160 149242 0.0511% 1404334 1300656 1843809 4-4 16: 91 117 194 207 92 208 115 193 312 65 104 51 118 178 179 63 0.939 25.61 2.8 96 97 96 97 312 19.4 1.467 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3165 2506.6 3.9 scans 42% TIC 0.66% 0.0200% 1923 1.1 190 150674 0.110% 722710 722710 3969060 0-0 0.958 25.86 45.9 86 90 91 98 361 8.0 0.000 0.460 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5732 2533.1 3.1 scans 32% 512 m/z (218) 1.3% 0.0425% 1947 1.2 181 72572 1533714 1473663 1-1 16: 512 455 247 513 456 514 483 248 263 349 457 497 423 484 409 234 0.949 26.57 -0.0 93 95 84 96 512 61.6 11.554 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 3.0 scans 91% TIC 0.035% 1.22% 1983 0.8 1014 2835094 1.28% 44146751 43226566 46185421 2-1 0.999 26.39 57.4 89 97 97 100 459 123.1 1.477 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1008 Sucrose 27.4349 2622.8 3.0 scans 44% 361 m/z (397) 0.38% 0.117% 2029 1.0 305 258426 4226668 4051355 0-7 11: 361 362 437 363 271 451 438 439 364 452 272 0.969 27.59 -16.7 95 96 92 98 437 56.6 3.438 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1010 Sucrose 27.4349 2622.8 3.0 scans 46% 361 m/z (83) 0.39% 0.123% 2029 1.0 313 256371 4442334 4258076 0-7 11: 361 362 437 363 271 451 438 439 364 452 272 0.970 27.58 -15.4 94 94 93 98 437 56.7 3.283 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN LQC1-N1014 Sucrose 27.4349 2622.8 3.0 scans 42% 361 m/z 0.38% 0.108% 2029 1.0 300 258933 3901646 3739815 0-7 11: 361 362 437 363 271 451 438 439 364 452 272 0.932 27.49 -5.9 98 98 89 98 437 56.6 3.564 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6191 2642.5 4.0 scans 20% 99 m/z (232) 1.3% 0.0530% 2046 1.6 174 71744 0.143% 1912843 1759825 5159778 1-0 19: 99 71 189 205 287 296 186 270 100 173 228 240 187 227 269 216 138 114 212 0.911 27.60 1.9 82 83 75 93 368 13.3 0.580 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6839 2759.2 >3 scans 34% TIC 1.0% 0.0105% 2148 1.0 157 94882 0.340% 379265 379265 12268003 0-0 0.953 28.69 -0.2 88 89 88 88 603 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7481 2766.4 3.2 scans 89% 399 m/z 0.059% 0.800% 2154 0.8 782 1668229 28877531 25852794 4-2 20: 399 400 73 147 57 129 205 203 103 55 487 401 71 116 145 75 267 117 85 101 1.000 28.19 62.5 87 96 97 99 487 98.6 1.593 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1034 Nonacosane 29.5299 2854.3 3.2 scans 76% 57 m/z 0.20% 0.212% 2228 1.2 407 476308 7663923 7407972 1-2 20: 57 71 85 55 99 56 69 365 83 97 113 70 127 111 84 141 393 366 364 98 0.997 29.50 2.8 95 92 98 99 408 14.6 0.129 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8539 2890.8 3.3 scans 75% 57 m/z 0.23% 0.185% 2259 1.2 380 426693 6708995 6452618 1-3 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 98 141 155 112 58 72 0.994 29.83 3.1 97 95 99 100 408 23.2 0.373 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1038 Hexacosanol 30.1970 2931.0 3.6 scans 6.6% 439 m/z 5.2% 0.00483% 2291 1.2 56 18890 0.00633% 174430 174430 228401 0-0 3: 439 440 441 0.859 30.17 2.9 94 97 61 97 439 36.3 42.292 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4842 2965.1 3.3 scans 57% 57 m/z 0.37% 0.113% 2319 1.0 292 266690 0.210% 4091394 3710450 7577296 0-2 19: 57 71 56 85 393 55 83 99 97 70 392 394 113 127 111 84 141 365 58 0.993 30.46 2.5 99 99 98 99 393 67.6 5.351 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2481 3055.8 3.6 scans 86% 57 m/z 0.052% 1.11% 2391 0.5 856 1886880 1.18% 40298815 39086993 42577185 2-1 20: 57 71 85 99 55 83 69 393 56 97 113 70 127 111 141 84 155 394 421 98 0.998 31.21 4.3 97 95 98 100 393 131.5 2.360 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1048 Hentriacontane 31.5511 3091.8 3.5 scans 86% TIC 0.048% 1.26% 2420 0.5 873 2052790 45712351 36602199 6-15 0.999 31.53 2.3 98 97 100 98 436 48.8 0.312 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8436 3126.6 3.1 scans 79% 502 m/z 0.081% 0.464% 2448 0.8 610 1228644 16760107 16007992 1-1 16: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 505 193 0.990 31.79 6.2 100 99 99 100 502 292.8 23.056 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9804 3142.8 3.6 scans 85% 329 m/z 0.15% 1.11% 2461 0.7 853 659847 40393266 35551924 1-5 20: 329 129 368 458 73 353 95 75 121 107 330 119 105 145 81 328 57 369 159 91 0.998 31.87 13.4 96 94 95 98 458 126.5 2.197 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1319 3160.8 3.4 scans 52% 57 m/z 0.19% 0.219% 2475 1.0 419 501250 0.438% 7916585 7897930 15804074 1-1 19: 57 71 85 56 421 55 99 83 97 70 113 420 422 111 127 84 141 58 155 0.989 32.11 2.6 98 97 99 99 421 93.3 4.965 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1046 Stigmasterol 33.0189 3266.1 3.6 scans 86% 83 m/z 0.090% 1.72% 2560 0.5 1086 1105671 62218196 60780636 1-0 19: 83 129 255 55 394 69 81 484 133 159 119 75 105 145 107 93 95 97 355 0.989 32.98 4.3 97 96 98 98 665 0.0 0.000 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1242 3278.6 3.1 scans 71% 57 m/z 0.083% 0.550% 2570 0.7 670 1195449 19879939 19582043 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 112 155 58 82 0.977 33.10 3.2 90 89 97 94 515 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN WTF2-N1034 b-Sitosterol 33.5156 3325.1 4.1 scans 69% TIC 0.13% 1.02% 2607 1.0 855 741906 2.01% 37061273 37011895 72525545 0-1 0.914 32.88 75.8 83 96 89 97 486 126.7 2.197 0.639 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6218 3337.7 3.4 scans 49% 386 m/z 0.64% 0.380% 2617 0.9 474 155109 13746592 10660659 24-1 6: 386 296 281 387 257 371 0.919 33.58 4.4 90 88 89 96 505 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7786 3356.4 4.1 scans 50% 218 m/z 0.11% 0.445% 2632 0.8 518 878465 0.633% 16061119 14496159 22840134 3-6 10: 218 203 190 219 189 135 119 175 136 94 0.819 34.08 -36.0 86 90 83 95 498 34.3 0.438 -0.303 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9154 3372.6 3.9 scans 1.7% 441 m/z 1.1% 0.0193% 2645 0.9 109 87445 696742 653318 3-1 6: 441 442 509 308 510 443 0.771 33.80 14.2 80 79 50 92 646 19.1 3.059 0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6099 3455.1 4.0 scans 22% 596 m/z 0.32% 0.133% 2711 0.9 281 308694 4819211 4588533 1-2 13: 596 597 598 316 302 599 318 356 315 303 300 330 370 0.940 34.47 16.4 97 96 88 99 596 146.8 27.285 0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 1.8 scans 66% 207 m/z 0.60% 0.0267% 27 1.1 176 166547 907927 902235 1-0 15: 207 295 208 209 296 191 297 279 189 193 210 177 192 247 119 0.968 6.63 -15.0 98 97 93 97 295 56.9 10.402 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9631 1142.6 >5 scans 41% 147 m/z 3.7% 0.00641% 178 2.1 67 26324 0.128% 217832 217832 4344660 0-0 5: 147 73 148 66 165 0.961 7.79 10.0 82 79 78 91 219 6.7 0.993 0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1192 Contamination 8.1177 1151.8 2.6 scans 95% 73 m/z 0.15% 0.313% 193 0.7 457 651996 10629810 8498814 13-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 100 103 149 75 131 134 236 1.000 7.99 7.6 97 96 97 97 235 92.3 4.078 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1188 Contamination 8.3155 1163.5 2.5 scans 75% TIC 1.9% 0.0183% 212 1.6 125 51581 0.0286% 623806 598554 970760 1-0 0.932 8.41 -5.9 97 96 76 98 369 35.6 8.119 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1186 Phosphate 8.6302 1182.2 2.2 scans 97% 241 m/z 0.046% 0.394% 242 0.9 615 2171673 13389263 12877469 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 75 257 121 181 1.000 8.56 4.2 100 99 99 100 299 0.0 0.000 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1180 Benzoic acid 9.7602 1248.5 3.6 scans 42% 179 m/z 7.4% 0.00673% 349 0.4 52 13490 228750 173400 9-6 6: 179 105 135 77 180 51 0.906 9.76 0.0 93 95 83 95 194 8.5 2.722 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LACTIC~1-N1034 Glycerol 10.0464 1265.3 >5 scans 55% 218 m/z (299) 0.77% 0.107% 376 0.6 209 128804 0.233% 3650992 3576925 7908640 1-0 3: 218 204 217 0.967 10.11 -3.7 90 92 83 93 293 15.9 0.578 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN VEN77_S6-N1002 Glycerol 10.1117 1269.1 5.0 scans 95% 299 m/z 0.012% 3.77% 383 0.4 1288 7991856 128191713 118552675 4-1 20: 299 73 300 314 301 133 283 207 147 315 211 193 191 205 135 316 74 225 75 103 1.000 10.09 1.1 98 97 93 99 299 727.1 32.018 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7272 1305.2 3.3 scans 73% 199 m/z 1.4% 0.0532% 441 0.6 173 69296 1805824 1708626 4-1 17: 199 75 117 73 145 200 132 129 131 118 74 61 76 201 72 119 155 0.952 10.73 -0.4 95 93 94 99 209 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0555 1325.0 3.0 scans 69% TIC 3.1% 0.0130% 472 0.8 102 32009 0.0303% 442865 439639 1028463 0-2 0.941 11.06 -0.5 96 95 85 96 285 31.3 9.476 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1162 Fumaric acid 11.3259 1341.3 >3 scans 29% TIC 9.9% 0.000887% 498 1.2 42 10055 0.0556% 30102 30102 1887212 0-0 0.903 11.39 -4.0 90 92 71 91 245 25.8 37.109 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4174 1346.8 6.7 scans 85% 57 m/z 0.78% 0.0851% 507 0.4 171 127444 0.0905% 2888627 2749864 3071811 2-0 18: 57 115 145 97 127 129 69 109 59 128 56 58 72 87 116 98 201 130 0.996 11.45 -1.7 99 98 98 99 145 50.5 8.684 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1146 Malic acid 13.4808 1474.3 2.5 scans 96% 73 m/z 0.11% 0.260% 703 0.9 478 861512 8838568 8832525 1-0 20: 73 147 233 245 133 189 148 190 75 74 175 191 335 149 101 55 234 217 59 265 0.999 13.62 -8.5 100 99 98 99 350 11.2 0.055 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9764 1505.8 2.8 scans 33% 156 m/z 3.3% 0.00642% 750 1.0 71 29933 218095 218095 1-0 6: 156 157 258 230 158 199 0.554 14.11 -8.9 83 82 75 88 273 0.0 0.000 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1044 Dodecanol 14.7350 1556.1 2.8 scans 74% 243 m/z 1.0% 0.0270% 822 1.0 149 93842 917988 836398 2-4 15: 243 75 244 103 89 97 83 245 236 101 61 111 76 205 115 0.980 14.24 32.7 89 89 89 98 243 78.8 28.137 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1976 1655.6 3.0 scans 48% 290 m/z (195) 1.0% 0.0208% 961 1.8 115 91556 707527 676529 1-3 9: 290 291 292 392 158 144 131 115 100 0.981 16.28 -5.5 96 98 91 98 392 16.6 2.100 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5490 1680.0 2.8 scans 83% 55 m/z 0.76% 0.0598% 994 1.3 210 130180 0.0712% 2030839 1773739 2416717 2-6 18: 55 83 69 97 70 56 84 111 82 98 127 68 113 96 140 112 67 54 0.999 16.63 -5.4 96 95 97 95 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1010 Glycerol-P 17.4812 1747.0 2.6 scans 98% 357 m/z 0.041% 1.55% 1083 0.7 1145 2413967 52781046 52468132 1-0 20: 357 299 73 358 147 315 300 370 445 211 359 103 101 301 133 256 129 387 218 328 1.000 16.97 37.5 96 99 99 99 445 180.5 2.486 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5570 1752.6 3.3 scans 72% TIC 0.95% 0.0283% 1090 1.9 167 105155 1.32% 963252 963252 44804310 0-0 0.993 17.63 -5.4 86 85 78 87 450 22.3 1.782 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN TAB_REP6-N1048 Citric acid 18.2462 1803.0 2.9 scans 70% 273 m/z 0.93% 0.0521% 1156 1.1 195 106458 0.0710% 1770213 1638943 2409929 0-1 19: 273 73 147 363 274 347 375 465 148 149 211 348 364 305 376 221 74 466 365 0.934 18.24 0.2 95 93 89 99 465 26.4 1.828 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4366 1817.5 4.3 scans 88% 312 m/z (310) 0.028% 3.38% 1174 0.5 1304 3553511 114951432 112160326 1-1 20: 312 73 76 135 120 119 132 149 50 136 62 74 118 78 58 327 66 77 133 213 0.999 17.91 39.3 93 99 98 99 327 127.5 0.957 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1012 Phytol 18.5713 1827.8 3.3 scans 97% 68 m/z 0.075% 1.48% 1187 0.5 969 1332098 1.64% 50411586 49788524 55665961 1-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 39.7 94 98 99 99 278 57.5 0.352 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1016 Hexadecene 18.6313 1832.4 2.6 scans 88% 70 m/z 0.29% 0.174% 1192 1.2 375 337808 1.25% 5912712 5596518 42428324 0-1 20: 70 69 57 71 55 83 56 111 125 126 97 84 280 85 140 67 112 68 82 98 0.996 18.10 40.0 85 85 93 97 280 55.7 2.202 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6576 1834.4 2.6 scans 72% 285 m/z (70) 0.77% 0.0691% 1195 1.1 231 128861 0.0730% 2346071 2195206 2477814 3-1 19: 285 117 73 75 132 129 145 286 131 118 287 300 74 116 201 241 130 257 61 0.989 18.73 -5.3 95 97 89 97 300 21.8 0.892 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1002 Phytol 18.8min 18.8607 1849.9 2.7 scans 93% 81 m/z 0.38% 0.232% 1214 1.0 436 259744 7888841 7539168 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 278 110 53 111 1.000 18.84 1.6 98 96 99 97 278 50.5 1.339 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1018 Fructose 18.9501 1856.7 2.8 scans 50% 307 m/z 3.0% 0.0136% 1223 0.7 101 33216 0.0179% 464595 459523 607574 1-0 12: 307 103 217 308 277 104 218 309 89 189 94 364 0.969 18.52 32.4 85 88 85 90 364 9.1 0.819 0.425 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1079 1868.7 3.1 scans 96% TIC 0.21% 0.517% 1238 0.7 596 474084 17549127 17375576 1-0 1.000 18.58 40.3 92 95 98 99 278 81.3 1.861 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN BRA4_R~2-N1004 Galactose 19.2700 1881.1 2.8 scans 53% 319 m/z 2.2% 0.0177% 1253 0.9 121 45421 0.0354% 601181 601181 1201570 0-0 10: 319 205 160 320 321 229 161 89 291 307 0.969 19.36 -7.0 92 92 86 92 364 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9234 1932.6 2.9 scans 82% 204 m/z 0.25% 0.124% 1315 1.3 300 385172 4224924 3761470 6-1 20: 204 73 217 159 205 147 206 129 218 103 74 189 191 133 160 219 305 148 243 291 0.982 19.91 0.9 96 94 94 99 361 12.7 0.178 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2832 1961.5 2.6 scans 37% 204 m/z 2.1% 0.0122% 1349 1.1 101 46009 415121 390888 2-1 9: 204 191 205 206 192 218 279 189 193 0.975 20.41 -10.5 83 83 83 83 217 23.4 5.382 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7999 2003.2 3.1 scans 95% TIC 0.18% 0.664% 1398 0.9 676 542038 0.697% 22569377 21683866 23658033 1-6 1.000 20.27 43.0 82 82 94 98 322 46.2 0.467 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1038 C16:0 21.1671 2034.0 3.9 scans 98% 117 m/z 0.026% 3.18% 1433 0.4 1332 3721227 108033854 106125683 0-1 20: 117 73 75 132 129 145 314 55 131 133 118 57 315 69 74 116 130 83 146 97 1.000 20.62 45.7 94 99 99 100 328 154.0 1.338 0.550 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6690 2076.2 2.8 scans 58% 305 m/z 1.4% 0.0443% 1481 1.0 189 69014 1504351 1396813 3-1 17: 305 217 318 147 191 306 319 265 218 307 432 192 320 367 219 433 291 0.967 21.75 -6.7 94 94 91 94 507 12.8 0.460 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2824 2128.9 6.8 scans 62% TIC 1.3% 0.0663% 1539 1.3 207 76872 0.148% 2253346 2253346 5023514 0-0 0.989 22.33 -4.1 95 94 93 96 342 19.6 0.890 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1040 Phytol 22.6275 2159.0 3.1 scans 92% 143 m/z 0.054% 0.452% 1572 1.1 563 1827617 15345332 14847026 4-1 20: 143 73 75 144 123 81 57 55 145 124 95 69 103 71 82 97 83 67 74 68 0.997 22.08 47.5 80 82 90 96 181 8.7 0.024 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1957 2209.0 6.5 scans 94% TIC 0.037% 7.01% 1626 0.2 1575 2637770 8.37% 237955825 236026686 284100056 0-1 0.996 23.12 7.2 96 96 98 96 350 115.6 0.539 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1036 C18:0 23.4188 2229.4 2.8 scans 91% TIC 0.091% 0.781% 1647 1.0 749 1095875 26540834 22798101 3-3 0.997 22.89 47.6 93 99 98 99 356 96.0 1.642 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1543 2296.6 3.3 scans 37% 204 m/z (333) 0.75% 0.0391% 1717 0.9 160 132456 0.0495% 1330368 1308441 1680162 1-3 14: 204 205 337 217 147 103 206 338 218 219 191 339 291 192 0.968 24.01 13.1 90 92 86 93 490 0.0 0.000 0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1543 2296.6 3.3 scans 41% 204 m/z 0.76% 0.0386% 1717 0.9 169 130641 0.0488% 1311290 1289677 1656402 1-3 14: 204 205 337 217 147 103 206 338 218 219 191 339 291 192 0.811 24.18 -2.5 90 91 85 92 581 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2848 2308.9 >3 scans 45% TIC 0.56% 0.0147% 1730 1.2 153 176786 0.207% 500881 500881 7026130 0-0 0.956 24.23 5.1 91 91 86 91 362 9.6 0.393 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1018 myo-Inositol 25.2265 2398.4 3.7 scans 66% TIC 0.47% 0.148% 1819 1.4 319 211322 0.339% 5023638 5016637 11506561 1-0 0.913 25.21 1.6 96 94 92 100 470 21.1 0.438 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6347 2438.8 3.2 scans 43% 91 m/z 0.56% 0.0424% 1858 1.3 169 176683 1441138 1350088 1-4 18: 91 117 194 207 92 208 115 193 65 312 104 118 178 51 180 116 179 63 0.941 25.61 2.5 96 98 95 97 312 21.0 1.549 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3144 2506.3 3.1 scans 43% 204 m/z 0.49% 0.0767% 1922 1.1 218 201332 0.238% 2603393 1940821 8078353 22-0 9: 204 217 205 219 206 218 305 293 220 0.953 25.86 45.6 86 89 92 99 361 13.0 0.357 0.458 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5701 2532.8 3.0 scans 32% 512 m/z (218) 1.2% 0.0494% 1947 0.9 189 80347 1676791 1661880 2-1 18: 512 455 247 513 456 514 483 248 349 263 497 423 484 235 515 309 498 424 0.958 26.57 -0.3 93 95 85 96 512 62.4 10.923 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9468 2571.7 2.9 scans 90% 371 m/z 0.036% 1.18% 1983 0.6 943 2758494 40245319 39537522 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 71 103 116 145 75 101 117 313 1.000 26.39 57.1 90 97 97 100 459 119.7 1.618 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1010 Sucrose 27.4277 2622.1 3.0 scans 47% 361 m/z (397) 0.28% 0.229% 2028 1.6 355 353173 0.362% 7786634 6514185 12287243 23-0 10: 361 362 437 363 271 451 438 364 439 452 0.976 27.58 -16.1 95 96 94 99 437 65.0 3.346 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1014 Sucrose 27.4277 2622.1 3.0 scans 44% 361 m/z 0.28% 0.197% 2028 1.6 346 353344 0.311% 6692335 5598710 10556167 23-0 10: 361 362 437 363 271 451 438 364 439 452 0.920 27.49 -6.6 98 98 89 98 437 65.1 3.540 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN LQC1-N1008 Sucrose 27.4319 2622.5 4.9 scans 45% TIC 0.29% 0.155% 2029 2.2 352 335974 0.568% 5285495 5285495 19279430 0-0 0.829 27.59 -17.0 96 96 90 98 437 61.5 3.057 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7440 2765.9 3.1 scans 90% TIC 0.062% 0.757% 2153 0.9 738 1600386 25727880 24723202 0-2 0.999 28.19 62.0 88 96 97 99 487 92.9 1.583 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN SQUALENE-N1017 Squalene STD 29.0964 2805.6 3.3 scans 45% TIC 0.67% 0.0215% 2187 1.8 183 147564 0.0310% 731954 731954 1052222 0-0 0.975 29.09 0.5 87 88 92 87 410 9.6 0.274 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1034 Nonacosane 29.5257 2853.9 3.4 scans 47% 57 m/z 0.62% 0.0717% 2228 1.2 225 159655 2434490 2174526 2-2 18: 57 71 85 55 56 365 99 83 97 113 70 127 366 141 393 364 98 86 0.982 29.50 2.4 95 94 97 97 408 7.3 0.105 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8509 2890.4 3.6 scans 60% 57 m/z 0.29% 0.195% 2259 1.7 331 338283 6632973 5710891 6-9 20: 57 71 85 55 99 69 83 56 97 113 70 84 127 141 111 98 155 58 72 112 0.965 29.83 2.7 96 94 99 100 408 21.2 0.409 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1038 Hexacosanol 30.1960 2930.9 3.7 scans 7.9% 439 m/z 3.0% 0.00944% 2291 1.1 73 32719 0.0130% 320499 299983 441255 0-1 3: 439 440 441 0.898 30.17 2.8 94 96 68 97 439 46.5 40.753 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4832 2965.0 3.4 scans 38% 57 m/z 0.69% 0.0623% 2319 1.1 205 143710 0.134% 2114902 1946751 4548316 0-4 15: 57 71 56 85 393 55 392 394 70 83 99 141 58 84 86 0.987 30.46 2.4 93 92 94 94 393 49.4 5.826 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2429 3055.2 3.5 scans 84% 57 m/z 0.064% 0.899% 2391 0.7 755 1555168 30532767 29145842 1-1 20: 57 71 85 55 99 69 56 393 83 97 113 70 127 111 141 84 155 394 421 98 0.994 31.21 3.7 97 95 99 100 393 119.1 2.491 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1048 Hentriacontane 31.5512 3091.8 3.5 scans 83% 57 m/z 0.058% 0.992% 2420 0.7 788 1706504 33686692 33252408 1-0 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 72 125 0.995 31.53 2.3 94 91 98 98 436 45.5 0.334 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8553 3127.9 3.4 scans 89% 502 m/z 0.027% 1.60% 2449 0.5 1019 3646105 54381022 52481371 1-1 19: 502 237 503 73 236 238 504 57 277 221 223 208 239 74 55 71 505 193 207 0.997 31.79 7.5 100 99 99 100 502 491.1 23.319 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9784 3142.6 3.4 scans 78% 329 m/z 0.18% 0.867% 2461 0.8 737 537604 29443926 27466215 1-1 18: 329 129 368 458 353 95 75 330 121 107 119 145 105 328 81 369 91 159 0.975 31.87 13.2 96 94 91 98 458 113.4 2.368 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1289 3160.4 3.3 scans 37% 57 m/z 0.32% 0.134% 2475 1.1 317 303842 0.356% 4549950 4476433 12083587 1-1 17: 57 71 85 56 421 83 99 70 97 422 420 113 127 84 141 58 393 0.985 32.11 2.2 98 98 98 99 421 73.4 5.356 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1046 Stigmasterol 33.0127 3265.4 3.6 scans 85% 83 m/z 0.10% 1.51% 2559 0.6 977 916492 51517400 47946077 1-1 19: 83 129 55 255 394 484 69 81 133 75 159 119 145 105 107 93 95 355 351 0.997 32.98 3.6 96 95 98 97 665 0.0 0.000 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1180 3277.9 3.2 scans 71% 57 m/z 0.10% 0.507% 2569 0.9 600 990670 0.513% 17217984 16309135 17412584 1-3 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 84 141 98 155 112 58 82 0.977 33.10 2.5 92 90 97 98 515 13.7 0.052 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN WTF2-N1034 b-Sitosterol 33.5041 3323.8 3.7 scans 73% 129 m/z 0.22% 0.695% 2606 0.7 685 453895 23601243 21795649 2-1 20: 129 357 396 486 381 73 95 75 358 57 119 107 145 121 397 105 356 81 55 159 0.997 32.88 74.5 85 98 98 99 486 99.8 2.126 0.627 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6198 3337.5 3.4 scans 61% 386 m/z 0.53% 0.376% 2617 1.0 497 186463 12791850 12413623 1-2 8: 386 296 281 387 119 257 159 371 0.993 33.58 4.2 94 91 94 99 505 2.9 0.000 0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7735 3355.8 4.0 scans 53% 218 m/z (204) 0.12% 0.474% 2631 0.9 495 798237 16109597 15167689 1-4 11: 218 203 190 219 189 135 175 119 105 136 94 0.982 34.08 -36.6 86 91 92 95 498 33.0 0.445 -0.309 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6057 3454.6 4.0 scans 28% 596 m/z 0.27% 0.176% 2710 0.8 309 369798 5981598 5774603 2-1 16: 596 597 598 331 316 302 599 356 315 318 303 332 300 317 330 342 0.928 34.47 15.9 97 95 88 99 596 156.4 25.653 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN EXBLK5S-N1006 Contamination 6.3638 1047.8 2.1 scans 73% 207 m/z 0.57% 0.0344% 26 1.3 183 177440 0.0382% 1178563 1102553 1308383 0-6 16: 207 73 295 208 209 296 191 297 279 193 84 189 210 192 177 247 0.988 6.63 -15.5 97 96 87 98 295 56.6 9.595 -0.261 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1192 Contamination 7.9642 1142.7 2.6 scans 94% 147 m/z (165) 0.093% 0.482% 178 0.8 576 1094461 16528937 15054434 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 75 100 103 149 134 131 236 1.000 7.99 -1.5 97 98 98 99 235 118.4 4.230 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1188 Contamination 8.2998 1162.6 2.2 scans 65% 281 m/z 2.7% 0.0107% 210 1.0 97 37953 369549 359938 1-1 11: 281 369 282 283 370 265 371 207 249 191 284 0.955 8.41 -6.8 96 96 79 97 369 28.8 8.759 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1186 Phosphate 8.4966 1174.2 2.2 scans 98% TIC 0.046% 0.393% 229 1.1 599 2227610 13470798 13239733 0-1 1.000 8.56 -3.8 100 99 99 100 299 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1180 Benzoic acid 9.6634 1242.9 3.3 scans 50% 179 m/z 4.9% 0.00723% 340 0.7 64 20669 0.00755% 247805 210480 258594 9-4 7: 179 105 135 77 180 194 51 0.905 9.76 -5.6 96 96 89 96 194 10.5 2.727 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN VEN77_S6-N1002 Glycerol 10.0380 1264.8 5.4 scans 98% 299 m/z 0.011% 4.36% 376 0.3 1311 8597070 149552409 149550591 1-0 20: 299 73 300 314 133 147 283 207 315 211 205 193 191 135 74 103 75 225 117 131 1.000 10.09 -3.2 98 96 92 99 299 722.8 30.587 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6578 1301.1 3.2 scans 91% TIC 1.1% 0.0840% 434 1.0 221 86176 0.108% 2877736 2738119 3699092 2-1 0.997 10.73 -4.5 86 80 69 99 209 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9924 1321.2 2.7 scans 66% 184 m/z 3.1% 0.0135% 466 0.9 99 32411 0.0138% 463748 436408 472662 3-1 17: 184 285 134 174 86 77 227 185 100 286 59 135 130 186 110 175 60 0.947 11.06 -4.3 98 98 93 98 285 31.0 9.860 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3659 1343.7 3.6 scans 92% TIC 0.42% 0.0943% 502 0.8 229 239803 0.141% 3232160 2974495 4829370 1-0 1.000 11.45 -4.8 98 97 96 99 145 66.3 8.426 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN TAB_REP6-N1026 Malic acid 13.4493 1472.3 2.5 scans 88% TIC 0.60% 0.0543% 700 0.9 211 168496 1861520 1820244 1-0 0.994 13.53 -5.3 96 95 91 95 335 24.6 1.358 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1146 Malic acid 13.4503 1472.4 2.5 scans 88% 73 m/z 0.60% 0.0542% 700 1.0 211 169576 1859456 1802547 1-1 19: 73 147 233 245 189 133 190 148 175 191 335 74 149 234 101 55 171 235 307 1.000 13.62 -10.4 95 94 91 95 350 0.0 0.000 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1044 Dodecanol 14.7129 1554.6 2.7 scans 88% 243 m/z 0.42% 0.0616% 820 1.0 218 241143 2110282 2037504 1-2 18: 243 75 244 103 89 97 83 69 245 55 101 61 111 76 115 59 87 99 0.997 14.24 31.2 97 99 98 99 243 121.1 30.712 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1776 1654.2 2.8 scans 81% 290 m/z (156) 0.30% 0.0878% 959 1.7 232 338773 3010133 2876809 1-1 13: 290 291 292 392 144 393 293 115 394 172 100 160 200 0.968 16.28 -6.9 95 95 92 99 392 29.0 1.568 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5332 1678.9 2.7 scans 92% 55 m/z 0.26% 0.184% 993 1.0 361 390330 0.203% 6323456 5352823 6952923 9-5 20: 55 69 83 73 56 97 70 57 84 111 82 127 113 98 68 71 96 67 140 85 0.999 16.63 -6.5 99 98 99 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1010 Glycerol-P 17.4697 1746.2 2.7 scans 98% 357 m/z 0.032% 2.15% 1082 0.6 1257 3176289 73965021 73908476 1-0 20: 357 299 73 358 147 315 300 370 445 211 103 359 101 301 133 129 256 387 218 131 1.000 16.97 36.7 96 99 99 99 445 199.1 2.510 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5423 1751.5 7.8 scans 64% TIC 1.2% 0.0186% 1089 1.6 140 85304 1.60% 639591 639591 54801364 0-0 0.987 17.63 -6.5 84 83 77 85 450 20.6 2.187 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN TAB_REP6-N1048 Citric acid 18.2283 1801.6 2.8 scans 37% 273 m/z 2.9% 0.0156% 1154 1.0 108 34797 537485 527259 0-1 15: 273 274 363 347 375 465 364 275 211 221 348 231 466 376 156 0.663 18.24 -1.2 86 87 56 94 465 16.7 2.388 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4198 1816.2 4.2 scans 95% 73 m/z 0.029% 3.36% 1172 0.5 1256 3536756 115311236 113252008 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 66 58 133 213 90 77 121 117 0.993 17.91 38.0 96 99 98 99 327 120.3 0.918 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1012 Phytol 18.5545 1826.5 3.2 scans 97% 68 m/z 0.062% 1.71% 1185 0.6 1032 1634757 1.98% 58870629 57739871 67816688 3-0 20: 68 95 82 57 69 123 55 81 83 67 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.4 94 98 99 99 278 61.6 0.356 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1016 Hexadecene 18.6176 1831.3 3.8 scans 78% TIC 0.27% 0.267% 1191 1.6 389 377544 4.54% 9147459 8798720 155498871 0-1 0.987 18.10 38.9 84 84 93 97 280 57.1 2.153 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6408 1833.1 2.7 scans 62% 285 m/z (70) 0.56% 0.0947% 1193 1.2 260 180618 0.833% 3246349 2956378 28530960 3-2 20: 285 117 73 75 132 129 286 145 131 118 201 287 74 300 116 133 130 241 61 257 0.956 18.73 -6.6 95 96 85 97 300 24.8 0.909 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1002 Phytol 18.8min 18.8460 1848.7 2.7 scans 93% 81 m/z 0.36% 0.279% 1213 1.0 441 284361 9580598 9020758 1-4 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 124 109 110 53 111 56 0.994 18.84 0.4 100 99 99 99 278 50.3 1.303 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0922 1867.5 2.9 scans 90% 81 m/z (99) 0.16% 0.558% 1236 0.8 625 621972 19120134 18891523 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 109 96 124 278 111 53 56 0.994 18.58 39.1 90 97 97 98 278 78.7 1.584 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1068 Galactopyranose 19.3279 1885.5 2.9 scans 51% 204 m/z 1.5% 0.0343% 1258 1.5 148 66647 0.0405% 1175808 1102762 1387160 0-17 10: 204 191 205 206 192 193 189 219 305 228 0.859 19.32 1.0 83 80 76 88 435 5.4 0.133 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9013 1930.8 2.8 scans 11% 299 m/z (204) 3.0% 0.0182% 1313 1.1 109 33436 624778 539010 2-3 12: 299 117 132 300 271 146 314 301 61 232 255 187 0.740 19.97 -5.8 80 83 58 96 314 12.4 1.302 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9087 1931.4 2.8 scans 80% 204 m/z 0.25% 0.121% 1314 1.0 289 405630 4150856 3819927 4-3 18: 204 217 205 159 147 206 129 218 103 191 189 133 219 160 291 305 148 243 0.944 19.91 -0.3 95 94 92 98 361 14.2 0.242 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7852 2001.9 2.9 scans 95% TIC 0.14% 0.795% 1397 0.8 748 727751 0.842% 27244105 25876621 28839218 1-6 1.000 20.27 41.7 82 82 94 97 322 51.7 0.478 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1038 C16:0 21.1534 2032.9 3.5 scans 97% 313 m/z 0.024% 3.41% 1432 0.5 1378 4230191 116868204 116478872 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 74 201 315 269 116 1.000 20.62 44.6 94 99 99 100 328 159.1 1.334 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6532 2074.9 2.8 scans 28% 305 m/z 4.7% 0.0130% 1479 1.0 93 21506 0.0363% 447804 404249 1243306 1-3 17: 305 217 318 191 306 319 265 307 320 218 432 433 293 219 367 291 266 0.959 21.75 -8.0 85 85 71 87 507 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2677 2127.6 6.6 scans 62% TIC 1.1% 0.0820% 1538 1.7 211 90095 0.176% 2810064 2332147 6028150 0-2 0.868 22.33 -5.4 94 93 91 97 342 21.7 1.053 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3908 2138.3 3.0 scans 22% 204 m/z (327) 4.1% 0.00736% 1550 0.9 65 24724 0.0670% 252133 225107 2294807 2-4 5: 204 249 205 206 351 0.909 22.71 -28.2 82 86 80 90 518 0.0 0.000 -0.323 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1040 Phytol 22.6139 2157.8 3.3 scans 92% 143 m/z 0.049% 0.547% 1571 1.0 575 2056570 18745034 17900145 2-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 97 83 82 67 74 96 0.997 22.08 46.3 80 82 90 96 181 10.1 0.031 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1915 2208.6 6.6 scans 92% 79 m/z 0.034% 7.95% 1626 0.2 1603 2977775 8.99% 272448098 270756763 307915165 0-1 20: 79 75 73 95 67 93 108 80 81 91 107 94 55 121 129 77 149 135 335 122 0.992 23.12 6.8 96 95 98 95 350 113.4 0.500 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1036 C18:0 23.4062 2228.3 2.8 scans 91% 341 m/z 0.083% 0.768% 1646 0.8 755 1223803 26337056 25586693 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 74 201 297 116 0.999 22.89 46.5 93 99 98 99 356 97.5 1.667 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7113 2256.2 2.7 scans 34% 163 m/z (95) 0.50% 0.0489% 1675 1.2 184 203437 0.0537% 1677838 1511624 1839271 2-12 8: 163 331 164 165 88 332 90 313 0.987 23.72 -0.7 92 94 90 95 331 42.9 5.413 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1004 Prostaglandin 23.7545 2260.1 3.0 scans 49% 73 m/z (163) 0.96% 0.114% 1679 0.7 230 106664 0.230% 3923061 2847253 7877696 5-0 20: 73 169 231 143 211 156 147 195 182 81 221 170 181 183 360 235 317 209 196 345 0.978 23.76 -0.3 93 95 89 95 360 20.6 0.800 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1006 Androsterone 23.8934 2272.8 2.9 scans 56% 143 m/z 0.65% 0.0733% 1692 1.1 231 156451 0.126% 2511564 2463560 4315607 2-0 9: 143 187 144 255 188 270 157 202 156 0.969 23.89 0.4 82 75 77 97 345 13.5 0.343 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1396 2295.3 3.3 scans 34% 204 m/z (333 143) 0.64% 0.0458% 1716 0.8 164 158845 0.0653% 1569978 1553930 2236581 0-2 16: 204 205 217 337 147 103 206 338 219 218 361 191 339 243 203 291 0.972 24.01 11.8 86 90 85 91 490 0.0 0.000 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1396 2295.3 3.3 scans 35% 204 m/z (333) 0.64% 0.0468% 1716 0.8 166 157963 0.0668% 1605750 1589336 2287957 0-2 16: 204 205 217 337 147 103 206 338 219 218 361 191 339 243 203 291 0.973 24.18 -3.8 89 91 83 91 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2332 2304.0 6.8 scans 64% 143 m/z 0.20% 0.108% 1725 1.3 261 506973 0.251% 3731582 3729787 8596964 1-0 18: 143 73 144 75 156 145 272 155 362 130 257 169 163 115 219 279 191 347 0.975 24.23 0.2 96 96 95 97 362 18.6 0.504 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1014 Androsterone 24.3min 24.2722 2307.7 >3 scans 67% 143 m/z 0.21% 0.0873% 1728 1.7 250 481705 0.218% 2993201 2889058 7466686 0-3 12: 143 144 156 145 81 219 272 109 115 123 157 155 0.989 24.27 -0.2 96 95 94 96 362 16.7 0.445 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1018 myo-Inositol 25.2076 2396.6 3.0 scans 58% 318 m/z 0.79% 0.0956% 1817 1.1 239 128601 0.100% 3275092 2697890 3425085 15-5 18: 318 315 299 387 319 316 389 320 300 388 317 191 301 433 343 390 432 246 0.970 25.21 -0.2 97 96 93 98 470 16.5 0.477 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6200 2437.3 3.5 scans 37% 91 m/z 0.57% 0.0461% 1856 1.3 163 177260 0.0653% 1579659 1476228 2236581 4-5 17: 91 117 194 207 92 115 208 193 65 312 51 104 118 78 63 102 128 0.945 25.61 1.0 95 97 95 97 312 19.7 1.469 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2987 2504.7 3.0 scans 47% 204 m/z 0.45% 0.0709% 1921 1.1 222 226643 2429350 1973585 22-0 8: 204 217 205 219 206 218 305 306 0.958 25.86 44.0 85 87 90 99 361 11.1 0.251 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5544 2531.1 3.6 scans 56% TIC 0.36% 0.143% 1945 1.9 329 283672 0.405% 4902973 4799200 13871595 1-1 0.919 26.57 -2.0 98 98 90 99 512 105.5 10.306 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9279 2569.7 2.7 scans 87% 371 m/z 0.046% 0.861% 1981 0.7 802 2200117 29501687 28864598 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 71 103 55 116 145 75 117 101 313 1.000 26.39 55.1 90 97 97 100 459 102.0 1.618 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN LQC1-N1010 Sucrose 27.4130 2620.5 2.8 scans 25% 361 m/z (397) 0.89% 0.0554% 2027 0.9 182 114820 1898111 1540267 1-24 12: 361 362 437 363 451 271 438 439 663 364 452 453 0.898 27.58 -17.7 94 96 86 97 437 35.2 3.721 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7251 2763.8 2.8 scans 89% 399 m/z 0.079% 0.561% 2152 0.8 632 1293354 19233393 19110842 1-0 20: 399 400 73 147 129 57 205 203 401 103 55 487 71 116 75 145 117 267 383 101 0.999 28.19 59.9 88 96 97 99 487 80.8 1.631 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN SQUALENE-N1017 Squalene STD 29.0796 2803.7 3.1 scans 65% TIC 0.33% 0.0657% 2185 1.3 260 310649 0.126% 2250833 2243422 4315607 1-0 0.990 29.09 -1.4 93 93 96 92 410 12.8 0.243 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1034 Nonacosane 29.5068 2851.7 3.0 scans 59% 57 m/z 0.38% 0.117% 2226 1.0 281 264803 4016201 3452686 6-11 17: 57 71 85 55 99 56 365 83 113 70 127 393 141 366 84 364 98 0.986 29.50 0.2 95 94 97 98 408 9.0 0.103 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8320 2888.3 3.2 scans 69% 57 m/z 0.29% 0.165% 2257 1.1 326 353536 5659148 5043877 1-8 19: 57 71 85 55 99 69 83 56 113 70 97 127 84 98 141 58 112 155 140 0.988 29.83 0.6 98 96 99 100 408 20.8 0.406 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1038 Hexacosanol 30.1792 2928.9 3.3 scans 6.7% 439 m/z 3.9% 0.00563% 2290 0.9 58 25955 0.00827% 193087 171755 283255 0-1 3: 439 440 441 0.727 30.17 0.8 94 97 54 98 439 39.7 47.558 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4654 2962.9 3.2 scans 46% 57 m/z 0.54% 0.0790% 2317 1.0 229 187056 0.145% 2709130 2543705 4966374 0-2 14: 57 71 85 393 56 99 392 394 70 113 141 84 58 86 0.993 30.46 0.3 95 94 96 97 393 55.2 5.792 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2314 3053.8 3.3 scans 88% 57 m/z 0.052% 1.14% 2390 0.6 829 1965650 39075670 37881804 1-1 20: 57 71 85 55 99 69 83 393 97 56 113 70 127 111 141 84 155 421 169 394 0.997 31.21 2.3 95 92 97 99 393 131.7 2.524 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1048 Hentriacontane 31.5397 3090.5 3.4 scans 86% 57 m/z 0.050% 1.12% 2419 0.6 823 2036278 38615969 36922206 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 155 98 112 169 126 0.999 31.53 1.0 99 97 99 99 436 50.1 0.371 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8406 3126.2 3.2 scans 88% 502 m/z 0.028% 1.48% 2448 0.5 964 3557740 50936087 47094707 1-1 20: 502 237 503 73 236 238 504 57 277 221 223 208 239 71 55 74 69 505 193 75 1.000 31.79 5.8 100 99 99 100 502 465.0 23.323 0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9627 3140.7 3.6 scans 78% 329 m/z 0.19% 0.876% 2459 0.7 696 516105 30006050 28852928 1-0 18: 329 129 368 458 353 95 75 330 119 107 121 328 105 145 369 81 93 91 0.988 31.87 11.3 96 94 93 98 458 104.8 2.267 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1152 3158.8 3.2 scans 38% 57 m/z 0.27% 0.164% 2474 0.9 342 379161 0.305% 5619460 5369748 10446510 2-1 17: 57 71 85 56 421 99 83 97 70 422 420 113 127 84 141 58 393 0.988 32.11 0.6 98 97 98 99 421 79.5 5.389 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1046 Stigmasterol 32.9991 3263.8 3.6 scans 87% 83 m/z 0.098% 1.74% 2558 0.6 1000 1037620 59896269 58055424 1-1 19: 83 129 55 255 69 484 394 81 133 159 75 119 145 107 105 93 95 91 351 0.990 32.98 2.0 96 95 98 97 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1096 3276.9 3.2 scans 79% 57 m/z 0.069% 0.808% 2568 0.7 725 1467623 0.816% 27679736 27380508 27948696 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 169 112 58 0.992 33.10 1.5 87 80 94 99 515 28.2 0.151 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN WTF2-N1034 b-Sitosterol 33.4936 3322.5 3.5 scans 78% 129 m/z 0.18% 0.862% 2605 0.6 723 551193 29542176 28565751 1-1 19: 129 357 396 486 381 95 75 107 121 358 119 397 145 57 105 81 356 55 159 0.998 32.88 73.2 85 97 98 99 486 106.1 2.152 0.617 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.6051 3335.8 3.5 scans 66% 386 m/z 0.41% 0.473% 2615 0.8 540 249410 1.26% 16223854 15096452 43156074 3-6 15: 386 296 129 55 281 387 119 257 107 105 145 159 93 121 371 0.993 33.58 2.5 93 90 94 98 505 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7588 3354.0 3.8 scans 57% 218 m/z 0.10% 0.483% 2630 0.8 516 995086 16557739 15544349 1-4 16: 218 203 190 219 189 95 135 107 121 109 119 175 93 105 94 136 0.919 34.08 -38.4 85 89 83 94 498 35.7 0.478 -0.323 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5858 3452.2 3.8 scans 46% 596 m/z 0.21% 0.214% 2709 0.8 337 472105 7362966 7092365 1-2 17: 596 597 598 331 316 302 599 356 318 315 303 332 317 342 300 330 341 0.963 34.47 13.5 97 95 87 100 596 169.4 25.233 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 1.8 scans 79% 207 m/z (173) 0.45% 0.0450% 27 1.1 210 227847 1497002 1402375 1-7 15: 207 73 295 208 209 296 191 297 279 193 189 177 192 210 247 0.995 6.63 -15.0 96 96 90 98 295 63.7 9.176 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1192 Contamination 7.9524 1142.0 2.6 scans 94% 147 m/z 0.088% 0.492% 177 0.8 590 1161639 16391594 15194881 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 149 100 75 103 131 134 236 0.996 7.99 -2.2 99 98 97 99 235 121.5 4.238 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1188 Contamination 8.3070 1163.0 2.1 scans 65% 281 m/z 2.2% 0.0128% 211 1.1 108 46102 426694 413253 1-1 11: 281 369 282 370 283 371 207 265 249 191 251 0.965 8.41 -6.4 96 95 77 97 369 32.2 8.840 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1186 Phosphate 8.4901 1173.9 2.4 scans 96% 241 m/z 0.051% 0.417% 228 1.0 560 1994208 13883931 13286405 1-1 20: 241 242 133 211 73 163 243 256 135 195 98 59 89 119 137 147 121 134 212 257 1.000 8.56 -4.1 100 99 99 100 299 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1180 Benzoic acid 9.6612 1242.7 3.2 scans 48% 179 m/z 4.7% 0.00787% 340 0.8 63 21679 0.00861% 261818 213314 286271 14-0 6: 179 105 135 180 51 136 0.730 9.76 -5.8 93 95 87 96 194 9.0 2.057 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN VEN77_S6-N1002 Glycerol 10.0295 1264.3 5.2 scans 96% 299 m/z 0.012% 3.83% 375 0.3 1234 8051306 127652402 125353473 1-1 20: 299 73 300 314 301 133 283 315 207 211 193 191 316 135 302 74 75 225 131 59 1.000 10.09 -3.7 98 96 92 99 299 694.4 31.865 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1174 Proline 10.4314 1287.8 3.0 scans 34% 142 m/z 3.2% 0.00403% 413 0.9 51 31936 134110 134110 1-0 3: 142 172 144 0.804 10.55 -6.6 82 85 65 87 142 43.7 73.808 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6576 1301.1 3.0 scans 71% 199 m/z 1.2% 0.0678% 434 1.0 190 83960 0.0731% 2257010 1773953 2430481 13-6 19: 199 75 117 73 145 132 200 129 131 79 81 74 61 118 76 155 72 201 107 0.771 10.73 -4.5 93 90 90 99 209 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9933 1321.3 2.7 scans 63% 184 m/z 3.9% 0.00998% 466 0.9 84 26186 0.0109% 331941 325612 362411 2-1 15: 184 134 285 174 86 185 77 100 227 286 59 172 135 175 186 0.977 11.06 -4.2 95 96 86 95 285 27.2 10.378 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3679 1343.8 3.3 scans 91% 57 m/z 0.41% 0.0939% 502 0.9 232 246876 0.100% 3122701 3007643 3324872 4-1 20: 57 115 97 145 127 69 55 129 56 59 111 128 109 72 58 83 87 98 146 71 0.996 11.45 -4.7 98 97 97 99 145 67.1 8.366 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1146 Malic acid 13.4544 1472.6 2.5 scans 89% 73 m/z 0.43% 0.0769% 700 1.1 246 238751 2559254 2488579 1-1 20: 73 147 233 245 189 133 190 148 74 75 175 335 101 191 149 55 234 307 117 265 0.999 13.62 -10.2 97 96 94 96 350 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1138 Pyroglutamic acid 13.9542 1504.3 2.9 scans 31% 156 m/z 3.0% 0.00691% 748 1.1 68 34285 229846 212802 1-1 7: 156 157 258 232 230 199 158 0.961 14.11 -10.4 82 80 78 91 273 0.0 0.000 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1044 Dodecanol 14.7181 1555.0 2.7 scans 89% TIC 0.39% 0.0864% 820 1.1 230 260163 0.107% 2873349 2407654 3557613 4-7 0.989 14.24 31.6 95 97 96 99 243 124.8 29.470 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1838 1654.6 4.5 scans 71% TIC 0.38% 0.0965% 960 0.9 209 271591 0.152% 3209462 3209462 5053805 0-0 0.932 16.28 -6.5 97 96 94 99 392 28.5 1.862 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5405 1679.4 2.8 scans 91% 55 m/z 0.31% 0.177% 994 1.0 326 324588 0.196% 5918174 5004233 6516748 9-4 20: 55 69 73 83 70 97 56 57 84 111 82 113 127 98 68 71 140 96 67 112 0.998 16.63 -6.0 99 98 98 98 210 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1010 Glycerol-P 17.4696 1746.2 2.7 scans 97% 357 m/z 0.044% 1.54% 1082 0.7 1055 2309701 51407501 51036918 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 133 301 387 129 256 218 328 1.000 16.97 36.7 96 99 99 99 445 169.9 2.598 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5453 1751.7 2.6 scans 63% 217 m/z 0.97% 0.0281% 1089 1.2 147 105722 0.104% 937490 902994 3457866 1-1 11: 217 218 450 219 232 305 451 257 203 169 452 0.988 17.63 -6.3 89 88 82 89 450 23.3 2.506 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN TAB_REP6-N1048 Citric acid 18.2314 1801.9 2.8 scans 45% 273 m/z (174 217) 3.1% 0.0162% 1154 1.1 106 32544 540383 540383 0-1 11: 273 363 274 347 465 211 275 364 348 466 183 0.966 18.24 -0.9 88 91 84 96 465 14.4 1.857 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.1 scans 88% 73 m/z 0.030% 3.03% 1173 0.5 1175 3358468 101019588 98428590 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 213 77 90 121 75 0.935 17.91 38.3 94 99 93 98 327 116.5 0.985 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1012 Phytol 18.5565 1826.7 3.2 scans 97% 68 m/z 0.079% 1.38% 1185 0.6 917 1306382 1.54% 45915966 44921196 51203022 2-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 38.6 94 97 99 99 278 54.8 0.357 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1016 Hexadecene 18.6196 1831.5 2.7 scans 87% 70 m/z 0.30% 0.178% 1191 1.2 357 336168 1.05% 5940874 5605521 34911151 0-1 19: 70 69 57 55 71 83 111 56 125 126 97 280 84 85 140 67 112 82 98 0.995 18.10 39.1 84 83 93 97 280 55.0 2.368 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6470 1833.6 2.7 scans 68% 285 m/z 0.82% 0.0658% 1194 1.0 210 125848 0.732% 2190234 1918236 24338060 13-1 18: 285 117 75 132 129 145 286 118 131 287 300 241 116 201 74 130 76 257 0.995 18.73 -6.1 96 96 84 96 300 20.6 0.968 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1002 Phytol 18.8min 18.8500 1849.1 2.7 scans 92% 81 m/z 0.43% 0.216% 1213 1.1 399 235745 7210583 6900330 1-3 20: 81 82 95 68 57 123 69 55 79 83 67 71 96 124 97 109 278 53 110 111 0.994 18.84 0.8 99 99 99 99 278 46.6 1.369 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1018 Fructose 18.9395 1855.9 2.9 scans 34% 307 m/z 5.0% 0.00931% 1222 0.6 71 20426 309582 276427 7-0 6: 307 103 308 218 277 309 0.909 18.52 31.6 84 89 80 89 364 5.9 0.684 0.414 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0973 1867.9 2.9 scans 94% 81 m/z 0.23% 0.473% 1236 0.8 549 448922 15727699 15588985 1-0 20: 81 82 95 68 123 57 69 55 79 83 67 71 96 97 109 124 278 111 53 56 0.999 18.58 39.5 92 94 98 99 278 75.7 1.903 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN BRA4_R~2-N1004 Galactose 19.2604 1880.4 2.7 scans 20% 319 m/z 7.2% 0.00462% 1252 1.1 59 14257 153909 153909 0-0 4: 319 160 320 321 0.722 19.36 -7.7 87 89 58 88 364 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1068 Galactopyranose 19.3362 1886.1 2.8 scans 54% 204 m/z 1.4% 0.0296% 1259 1.2 143 72877 0.0475% 986930 957042 1579314 1-8 10: 204 191 205 206 192 193 305 189 243 291 0.845 19.32 1.6 83 81 82 87 435 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9138 1931.8 2.7 scans 81% 204 m/z 0.22% 0.153% 1314 1.3 312 458722 5114817 4210131 12-2 20: 204 73 217 205 159 147 206 129 218 103 74 191 133 189 160 219 131 291 305 148 0.973 19.91 0.1 95 93 93 99 361 14.8 0.226 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7924 2002.6 3.0 scans 95% TIC 0.18% 0.693% 1398 0.8 658 565623 0.730% 23067146 22394066 24271562 1-6 0.999 20.27 42.4 82 82 94 97 322 45.3 0.475 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1038 C16:0 21.1607 2033.5 3.4 scans 96% 117 m/z 0.024% 3.34% 1433 0.3 1348 4159528 111354681 105328077 1-1 20: 117 313 73 75 132 129 145 314 55 131 133 328 118 57 69 201 74 315 269 116 1.000 20.62 45.2 94 99 99 100 328 155.3 1.328 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1771 2119.7 3.0 scans 16% 396 m/z 5.5% 0.00613% 1529 1.4 62 18524 0.00753% 204095 196311 250363 1-0 7: 396 219 397 381 398 220 307 0.645 22.19 -0.8 86 88 52 90 396 33.3 29.001 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2813 2128.8 3.0 scans 39% 327 m/z 1.4% 0.0390% 1539 1.1 158 69159 1299180 1236434 3-1 8: 327 132 328 342 329 283 299 343 0.886 22.33 -4.2 97 97 78 97 342 21.6 1.865 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 5.9 scans 94% TIC 0.034% 7.47% 1626 0.2 1602 3037549 8.86% 248480450 240127511 294583618 0-2 0.998 23.12 6.8 96 95 99 95 350 113.3 0.500 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1036 C18:0 23.4134 2228.9 2.7 scans 90% 341 m/z 0.084% 0.816% 1647 0.7 740 1222321 27149928 25063357 3-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 297 74 313 0.998 22.89 47.1 93 98 98 99 356 97.6 1.743 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7175 2256.7 2.9 scans 23% 163 m/z 0.65% 0.0386% 1676 1.0 156 157730 0.0442% 1286587 1160740 1469593 2-13 8: 163 331 164 165 88 332 90 166 0.782 23.72 -0.2 91 92 76 95 331 38.7 6.131 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1458 2295.9 3.2 scans 38% 204 m/z 0.58% 0.0453% 1716 0.9 166 177890 0.0621% 1508829 1406493 2064745 0-5 16: 204 205 217 337 147 103 206 218 338 219 191 361 148 203 339 362 0.778 24.18 -3.2 92 93 72 92 581 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2373 2304.4 3.3 scans 32% 143 m/z 0.63% 0.0291% 1725 1.3 137 162905 0.0562% 970433 892409 1868578 8-0 5: 143 144 156 170 272 0.845 24.23 0.6 88 90 79 91 362 9.3 0.467 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1018 myo-Inositol 25.2179 2397.6 4.6 scans 52% TIC 0.91% 0.0727% 1818 1.5 199 112726 0.171% 2417578 2417578 5685530 0-0 0.806 25.21 0.8 94 94 87 97 470 13.2 0.441 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6325 2438.6 3.4 scans 44% 91 m/z 0.72% 0.0375% 1858 1.2 143 141870 0.0481% 1248127 1100635 1599263 6-4 15: 91 117 194 207 92 208 115 312 193 65 51 178 102 128 63 0.968 25.61 2.3 96 97 94 96 312 18.6 1.684 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3070 2505.6 3.2 scans 47% 204 m/z 0.48% 0.0819% 1922 1.0 212 215142 2724901 2032109 19-0 9: 204 217 205 219 206 218 305 101 293 0.953 25.86 44.9 85 88 91 99 361 12.4 0.000 0.451 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5627 2532.0 4.7 scans 55% TIC 0.36% 0.159% 1946 2.1 325 286879 0.445% 5298044 5298044 14795678 0-0 0.886 26.57 -1.1 98 98 89 99 512 104.2 10.269 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9372 2570.7 2.9 scans 87% TIC 0.039% 1.03% 1982 0.7 869 2609619 1.13% 34263266 33723073 37571048 6-0 1.000 26.39 56.1 90 97 97 100 459 111.9 1.666 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1010 Sucrose 27.4191 2621.1 3.0 scans 25% 361 m/z (397 222) 0.85% 0.0622% 2027 1.0 186 120631 0.0671% 2070275 1776031 2230989 0-17 9: 361 362 437 363 438 451 439 452 453 0.935 27.58 -17.1 90 94 86 96 437 35.5 3.643 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN LQC1-N1014 Sucrose 27.4191 2621.1 3.0 scans 20% 361 m/z 0.86% 0.0447% 2027 1.0 166 120030 0.0482% 1486493 1275220 1602588 0-17 9: 361 362 437 363 438 451 439 452 453 0.812 27.49 -7.6 96 96 79 97 437 35.5 4.564 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7344 2764.8 2.9 scans 88% 399 m/z 0.069% 0.688% 2153 0.7 669 1488612 22897784 20942731 1-1 20: 399 400 73 147 129 57 205 487 203 401 103 55 71 116 145 75 117 101 267 85 1.000 28.19 60.9 88 96 97 99 487 87.9 1.723 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN SQUALENE-N1017 Squalene STD 29.0858 2804.4 3.2 scans 49% TIC 0.62% 0.0255% 2186 1.4 188 164648 0.0457% 848320 848320 1519466 0-0 0.979 29.09 -0.7 86 86 94 87 410 9.7 0.264 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1034 Nonacosane 29.5130 2852.4 3.1 scans 50% 57 m/z 0.60% 0.0792% 2226 1.2 225 171990 2636399 2373357 3-10 17: 57 71 85 55 99 365 56 83 113 70 127 366 393 84 141 155 364 0.985 29.50 0.9 95 95 97 98 408 6.9 0.094 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8392 2889.1 3.1 scans 68% 57 m/z 0.31% 0.154% 2257 1.1 313 332026 5130258 4756651 1-9 20: 57 71 85 55 99 69 83 56 113 70 97 127 84 141 111 98 112 86 155 58 0.994 29.83 1.4 97 94 99 99 408 19.7 0.398 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1038 Hexacosanol 30.1843 2929.5 3.0 scans 10% 439 m/z 2.9% 0.00816% 2290 1.0 71 35282 0.0118% 271455 271455 392335 0-0 4: 439 440 441 327 0.826 30.17 1.4 94 97 68 98 439 46.0 42.103 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4305 2958.7 3.1 scans 57% 193 m/z (204) 0.58% 0.167% 2314 1.1 314 176017 5584770 5330169 2-1 14: 193 119 105 163 120 91 194 176 171 515 325 247 106 158 0.957 30.36 8.6 85 85 89 92 529 13.7 0.191 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4705 2963.5 3.3 scans 37% 57 m/z 0.79% 0.0604% 2317 0.9 190 130251 0.112% 2010068 1727792 3723856 1-3 15: 57 71 56 85 393 392 99 394 70 113 141 365 84 86 58 0.991 30.46 0.9 93 92 96 95 393 46.9 6.114 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2323 3054.0 3.2 scans 87% 57 m/z 0.062% 0.910% 2390 0.7 744 1643507 30275406 29271368 1-1 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 141 84 155 421 98 394 0.997 31.21 2.5 97 95 98 100 393 117.7 2.501 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1048 Hentriacontane 31.5427 3090.8 3.7 scans 83% TIC 0.063% 1.15% 2419 0.5 725 1622390 38551691 30684139 8-2 0.999 31.53 1.3 98 96 99 98 436 43.2 0.356 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6868 3107.9 3.7 scans 20% 204 m/z 0.77% 0.0275% 2433 1.7 153 133596 0.226% 914735 851932 7514210 0-4 11: 204 205 597 337 217 206 598 338 191 243 361 0.648 31.68 1.3 86 87 71 89 597 20.2 1.731 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8468 3126.9 3.3 scans 90% 502 m/z 0.025% 1.80% 2448 0.5 1015 4048862 59898237 58345086 1-1 20: 502 237 503 73 236 504 238 277 57 221 223 208 239 74 71 505 55 193 69 207 0.999 31.79 6.5 100 99 99 100 502 492.4 23.617 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9678 3141.3 3.4 scans 81% 329 m/z 0.20% 0.811% 2460 0.7 689 495685 26993293 25646341 1-1 18: 329 129 368 458 353 95 75 330 107 119 121 145 105 81 328 369 93 91 0.996 31.87 11.9 97 95 95 99 458 104.7 2.308 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1172 3159.0 3.2 scans 36% 57 m/z 0.34% 0.126% 2474 1.1 300 299186 0.258% 4217394 4188989 8578169 1-0 17: 57 71 85 56 421 99 83 422 420 97 70 113 127 84 392 141 58 0.985 32.11 0.8 98 99 98 99 421 70.9 5.577 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1046 Stigmasterol 33.0011 3264.0 3.4 scans 84% 83 m/z 0.12% 1.39% 2558 0.6 905 850871 46342381 43416061 1-1 19: 83 129 255 55 394 484 69 81 75 133 119 105 145 159 107 93 95 351 97 0.998 32.98 2.2 96 94 98 97 665 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1063 3276.5 3.1 scans 69% 57 m/z 0.10% 0.491% 2568 0.8 570 950123 16348369 15758587 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 126 0.980 33.10 1.1 83 78 94 98 515 12.7 0.049 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN WTF2-N1034 b-Sitosterol 33.4935 3322.5 3.6 scans 70% 357 m/z 0.23% 0.779% 2605 0.7 641 434698 0.972% 25926351 22716251 32317751 17-4 14: 357 129 396 486 381 358 119 121 107 145 356 105 487 159 0.996 32.88 73.2 85 98 98 99 486 96.1 2.245 0.616 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6071 3336.0 3.4 scans 57% 386 m/z 0.61% 0.340% 2616 0.8 441 168395 0.411% 11313000 10746169 13665222 0-8 8: 386 296 281 387 119 257 371 159 0.988 33.58 2.7 93 90 94 98 505 0.0 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7618 3354.4 3.5 scans 49% 218 m/z 0.13% 0.356% 2630 0.9 446 766418 11843048 10628006 2-4 17: 218 203 190 219 189 95 135 107 175 119 121 109 105 93 136 94 137 0.918 34.08 -38.0 86 90 82 94 498 31.5 0.500 -0.320 G:\GCMS data\Nicotiana Panel nonpolar repeated\N506_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5920 3453.0 3.7 scans 41% 596 m/z 0.27% 0.176% 2709 0.9 302 382710 5854949 5761385 0-8 18: 596 597 598 331 316 599 302 318 356 315 303 332 300 317 342 330 357 341 0.951 34.47 14.3 97 95 87 99 596 151.4 25.091 0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN EXBLK5S-N1006 Contamination 6.3722 1048.3 1.9 scans 61% 207 m/z 2.0% 0.0189% 27 1.2 108 49159 315305 313294 1-0 9: 207 295 208 209 71 296 191 297 74 0.912 6.63 -15.0 92 92 76 93 295 31.9 8.712 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1192 Contamination 7.9610 1142.5 2.5 scans 96% 73 m/z 0.12% 0.608% 178 0.8 528 808120 10138513 9676793 1-1 20: 73 147 133 220 235 59 148 146 72 86 74 89 75 160 100 103 149 131 134 70 0.996 7.99 -1.7 99 98 98 99 235 104.3 3.902 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1026 Cadaverine NC 8.1283 1152.4 2.7 scans 74% TIC 0.85% 0.0641% 194 2.6 158 116459 0.581% 1068422 1067438 9677812 1-0 0.882 7.74 23.2 96 94 91 99 216 35.9 5.151 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1188 Contamination 8.3103 1163.2 2.4 scans 77% 281 m/z 3.6% 0.0216% 211 1.8 97 27452 0.0259% 360362 330579 431421 1-10 13: 281 147 282 369 283 207 370 148 265 249 371 149 191 0.956 8.41 -6.2 93 92 71 95 369 26.8 7.597 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1186 Phosphate 8.4924 1174.0 2.3 scans 93% TIC 0.47% 0.0791% 229 1.3 201 212026 1318908 1268575 0-3 0.999 8.56 -4.0 100 99 97 99 299 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1180 Benzoic acid 9.6603 1242.7 3.2 scans 80% 179 m/z 3.1% 0.0226% 340 0.6 87 31912 0.0241% 376591 370330 401438 1-3 9: 179 105 135 77 180 136 194 51 181 0.895 9.76 -5.8 97 97 89 97 194 14.3 2.701 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN VEN77_S6-N1002 Glycerol 10.0380 1264.8 5.3 scans 96% 299 m/z 0.015% 6.37% 376 0.3 1226 6484152 106227156 100179336 1-1 20: 299 73 300 314 133 283 147 207 315 211 193 191 205 135 74 75 225 103 131 117 1.000 10.09 -3.2 98 97 92 99 299 695.6 32.335 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1174 Proline 10.4305 1287.7 3.6 scans 64% 142 m/z (102) 2.0% 0.0162% 413 0.7 75 49401 271108 271108 0-0 4: 142 143 216 144 0.985 10.55 -6.7 87 90 83 92 142 60.7 66.353 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6578 1301.1 3.1 scans 83% 199 m/z 1.3% 0.0936% 434 0.9 186 71472 1560712 1503441 1-1 20: 199 75 117 73 145 132 129 200 131 67 118 74 61 81 76 79 72 201 155 95 0.912 10.73 -4.5 97 95 93 99 209 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9945 1321.3 3.1 scans 70% TIC 5.8% 0.0183% 466 1.2 77 17000 0.0562% 305228 227811 936133 0-3 0.986 11.06 -4.2 93 94 83 94 285 24.2 9.990 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3691 1343.9 3.6 scans 20% 57 m/z (84) 0.44% 0.168% 502 0.9 232 225632 2810537 2686436 3-1 20: 57 97 115 145 127 129 59 111 109 128 72 71 98 201 113 114 95 96 110 99 0.942 11.45 -4.6 96 99 94 99 145 66.9 8.291 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3901 1345.2 3.2 scans 93% TIC 0.034% 1.65% 504 0.6 773 2916758 1.71% 27635856 25024479 28483751 4-2 0.984 10.96 26.2 97 98 97 99 161 196.0 6.434 0.434 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN TAB_REP6-N1026 Malic acid 13.4524 1472.5 2.5 scans 92% 73 m/z (158) 0.24% 0.219% 700 1.0 326 401138 3654273 3524022 1-1 20: 73 147 233 245 133 190 148 189 75 74 191 55 101 149 175 234 335 59 117 217 0.999 13.53 -5.1 94 95 96 96 335 37.9 1.351 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1146 Malic acid 13.4524 1472.5 2.5 scans 95% TIC 0.24% 0.229% 700 0.9 332 402977 3820192 3647916 1-1 0.993 13.62 -10.3 98 97 95 97 350 7.2 0.048 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2605 1524.6 2.6 scans 61% 263 m/z 1.2% 0.0303% 777 1.0 119 79928 505103 505103 1-0 10: 263 264 278 265 447 239 279 175 342 128 0.956 14.33 -4.4 90 87 83 96 278 29.9 6.311 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6603 1551.1 2.8 scans 96% 174 m/z 0.086% 0.563% 815 0.9 494 1151396 9381103 9305786 0-4 20: 174 73 175 86 176 250 59 100 91 74 130 117 251 162 131 177 87 121 65 75 0.994 14.16 32.8 91 91 89 98 250 88.9 3.242 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1044 Dodecanol 14.7140 1554.7 2.5 scans 61% 243 m/z (179) 2.4% 0.0186% 820 1.0 95 41483 0.0217% 310849 310849 361460 0-0 8: 243 244 97 89 83 61 245 111 0.934 14.24 31.3 89 95 78 96 243 55.6 34.192 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN LQC1-N1118 Phenylalanine 15.5368 1609.7 3.9 scans 71% TIC 13% 0.00474% 898 2.2 43 7610 0.0388% 79073 79073 646298 0-0 0.964 15.66 -8.5 83 84 73 84 294 0.0 0.000 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1797 1654.4 2.7 scans 74% 290 m/z 1.5% 0.0312% 959 1.6 110 63763 521070 519000 0-2 6: 290 291 292 158 392 144 0.894 16.28 -6.7 93 91 83 97 392 14.7 1.776 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1010 Glycerol-P 17.4560 1745.2 2.6 scans 95% 357 m/z 0.19% 0.666% 1081 0.9 543 501495 11094498 11014884 2-0 20: 357 73 299 147 358 315 445 300 370 211 101 103 359 133 301 129 387 256 131 218 0.993 16.97 35.7 96 99 99 99 445 82.3 2.294 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN TAB_REP6-N1048 Citric acid 18.2294 1801.7 2.7 scans 73% 73 m/z 2.6% 0.0233% 1154 1.1 108 37688 0.0254% 389658 389658 423092 0-0 18: 73 273 147 274 375 363 347 148 149 465 183 211 364 305 74 275 133 231 0.974 18.24 -1.1 89 89 86 89 465 14.6 1.819 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4156 1815.9 4.1 scans 88% 73 m/z 0.034% 5.35% 1172 0.5 1254 2871825 89180335 84520798 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 66 133 77 90 213 121 0.936 17.91 37.7 94 99 93 99 327 120.1 0.918 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1012 Phytol 18.5524 1826.3 3.1 scans 98% 68 m/z 0.068% 2.96% 1185 0.5 1063 1456634 49318058 49055439 1-0 20: 68 95 82 57 123 69 55 81 67 83 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.2 95 98 99 99 278 59.2 0.310 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1016 Hexadecene 18.6113 1830.8 2.9 scans 90% TIC 0.48% 0.265% 1190 1.7 314 205753 8.58% 4426793 4075185 142918470 0-1 0.997 18.10 38.4 81 79 92 97 280 42.5 1.833 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6387 1832.9 2.6 scans 62% 285 m/z 2.1% 0.0455% 1193 1.0 146 45893 759138 731129 1-1 17: 285 117 132 129 145 286 118 287 131 116 257 201 300 130 146 76 61 1.000 18.73 -6.8 94 94 82 94 300 14.5 0.996 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1002 Phytol 18.8min 18.8407 1848.3 2.7 scans 94% 81 m/z 0.51% 0.381% 1212 1.1 407 195957 6349315 5939853 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 111 110 1.000 18.84 0.0 100 99 100 100 278 44.9 1.217 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1018 Fructose 18.9407 1856.0 3.7 scans 62% TIC 2.8% 0.0259% 1222 1.5 101 35377 0.287% 432604 432604 4780606 0-0 0.936 18.52 31.7 86 88 85 90 364 8.3 0.679 0.416 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0880 1867.2 2.8 scans 96% 81 m/z 0.25% 0.781% 1236 0.8 569 392008 13015682 12823080 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 97 71 96 109 124 53 278 56 111 1.000 18.58 38.8 93 96 98 99 278 72.0 1.601 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN BRA4_R~2-N1004 Galactose 19.2605 1880.4 2.7 scans 42% 319 m/z (365) 4.9% 0.0146% 1252 0.9 82 20223 0.0179% 244128 244128 298163 0-0 7: 319 205 160 320 321 206 148 0.970 19.36 -7.7 85 87 78 88 364 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7778 2001.3 2.8 scans 91% 79 m/z 0.32% 0.735% 1396 1.1 561 309235 0.808% 12248353 11774941 13458989 1-2 20: 79 75 73 67 93 95 91 80 108 55 129 81 94 121 77 117 135 107 307 119 0.944 20.27 41.1 81 83 92 97 322 33.7 0.360 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1038 C16:0 21.1408 2031.8 2.9 scans 98% 117 m/z 0.036% 4.07% 1431 0.5 1262 2712565 67944173 67860256 1-0 20: 117 313 73 75 132 129 145 314 55 131 328 133 118 69 57 201 74 315 116 269 1.000 20.62 43.5 94 99 99 100 328 137.7 1.191 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6574 2075.2 2.7 scans 70% 305 m/z 2.8% 0.0431% 1480 1.0 141 35675 719492 715213 1-1 18: 305 217 318 147 191 306 319 265 204 218 307 148 432 320 291 266 192 433 0.983 21.75 -7.7 91 91 87 91 507 6.6 0.220 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1657 2118.7 2.7 scans 38% 396 m/z 4.9% 0.0129% 1528 1.0 77 20164 216494 216494 0-0 8: 396 219 397 381 307 220 191 398 0.949 22.19 -1.8 89 90 73 90 396 35.2 20.796 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2688 2127.7 2.8 scans 52% 327 m/z 3.0% 0.0409% 1538 0.8 132 32986 0.0437% 682029 653934 727918 1-0 14: 327 117 132 145 328 342 118 329 283 116 130 61 146 76 0.707 22.33 -5.3 94 95 82 96 342 14.9 1.270 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1040 Phytol 22.6128 2157.7 2.8 scans 96% 143 m/z 0.051% 0.957% 1571 0.9 633 1955503 15949980 15576180 1-1 20: 143 73 75 144 123 81 57 55 69 124 145 95 71 103 83 97 82 67 96 68 1.000 22.08 46.2 81 82 90 97 181 8.8 0.019 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1042 C18:2 23.0495 2195.9 4.8 scans 87% 75 m/z 0.18% 1.64% 1612 0.9 664 547969 7.33% 27346532 26188306 122097014 1-0 20: 75 337 67 81 55 95 129 82 68 96 54 79 262 338 150 109 80 110 69 220 0.958 22.53 45.1 90 95 96 99 352 38.4 0.335 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1505 2204.9 4.2 scans 95% 75 m/z 0.045% 7.79% 1622 0.4 1502 2182318 9.06% 129921125 125461347 150913908 0-2 20: 75 79 73 95 67 93 108 81 80 129 55 91 117 107 94 335 121 149 77 135 0.990 23.12 3.1 99 98 99 98 350 100.8 0.450 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1036 C18:0 23.3936 2227.1 2.6 scans 94% 341 m/z 0.16% 0.840% 1645 0.8 617 617884 14002330 13519591 1-3 20: 341 117 73 75 132 129 145 342 55 57 356 133 69 118 131 74 201 343 116 83 1.000 22.89 45.3 94 99 99 99 356 75.2 1.487 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1018 myo-Inositol 25.2107 2396.9 3.3 scans 77% TIC 0.83% 0.181% 1818 1.2 247 120327 0.206% 3018436 2762829 3431376 1-2 0.970 25.21 0.1 98 97 94 99 470 16.2 0.429 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6084 2436.2 3.2 scans 81% 91 m/z 0.27% 0.188% 1855 1.2 260 364111 3137093 2874706 1-4 20: 91 117 207 194 92 115 65 208 193 77 103 104 312 118 78 51 116 178 195 128 0.978 25.61 -0.1 100 99 99 99 312 29.5 1.283 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3923 2514.4 2.7 scans 96% 204 m/z 0.046% 1.36% 1930 0.9 773 2137484 22693800 22219040 1-1 20: 204 73 205 147 217 206 495 117 129 74 363 103 130 273 191 496 75 143 231 131 0.999 26.35 4.4 94 93 98 93 495 114.5 2.201 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5523 2530.9 2.9 scans 64% 73 m/z (218) 1.2% 0.0976% 1945 1.6 180 80782 0.485% 1626375 1399129 8078725 2-8 19: 73 512 455 247 513 456 57 248 514 483 263 349 457 423 189 249 74 497 233 0.977 26.57 -2.2 93 95 87 95 512 57.1 10.055 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9247 2569.4 3.0 scans 93% 371 m/z 0.068% 1.44% 1980 0.7 758 1452019 24049550 22603268 1-1 20: 371 73 372 147 57 129 205 203 55 103 239 71 373 459 116 75 101 145 117 85 1.000 26.39 54.8 90 97 97 100 459 91.1 1.445 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7219 2763.4 2.6 scans 92% 399 m/z 0.10% 0.906% 2151 0.9 636 929707 15092336 14267732 1-1 20: 399 73 400 147 57 129 205 55 203 103 383 71 401 487 75 116 145 85 69 101 1.000 28.19 59.5 85 93 96 97 487 74.8 1.381 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1034 Nonacosane 29.5037 2851.4 2.9 scans 82% 57 m/z 0.35% 0.240% 2226 1.0 316 284999 0.253% 4012527 3771109 4214263 1-2 20: 57 71 85 55 56 69 99 83 365 97 113 70 127 111 84 58 366 141 155 393 0.997 29.50 -0.1 98 97 98 99 408 11.3 0.128 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8257 2887.6 2.8 scans 80% 57 m/z 0.40% 0.183% 2256 1.2 289 247795 0.194% 3055760 2935858 3231490 1-0 20: 57 71 85 55 99 69 83 56 97 113 70 84 127 98 111 112 58 141 86 72 0.997 29.83 -0.1 99 98 99 98 408 16.7 0.333 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4591 2962.1 2.9 scans 76% 57 m/z 0.32% 0.245% 2316 1.0 317 303940 0.368% 4089819 3959916 6129836 0-1 20: 57 71 56 85 393 55 99 97 69 83 70 394 392 113 127 111 84 58 141 86 1.000 30.46 -0.5 99 98 98 99 393 68.9 4.724 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2198 3052.5 3.1 scans 90% 57 m/z (425) 0.066% 1.52% 2389 0.6 747 1494473 25413789 24685399 2-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 421 98 394 0.998 31.21 1.0 97 98 99 100 393 108.6 2.114 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1048 Hentriacontane 31.5176 3087.8 2.9 scans 89% 57 m/z 0.090% 0.973% 2417 0.8 639 1107275 16217125 15445886 1-2 20: 57 71 85 55 99 69 83 97 56 70 113 127 111 84 141 98 112 155 58 72 0.995 31.53 -1.7 99 97 99 99 436 33.7 0.278 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8090 3122.5 2.9 scans 82% 502 m/z 0.17% 0.464% 2445 0.9 435 559952 7729066 7430133 1-1 16: 502 237 73 503 236 504 238 57 277 221 223 208 74 239 505 193 0.994 31.79 2.1 100 99 98 99 502 204.4 22.044 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9332 3137.2 3.3 scans 72% 129 m/z 0.77% 0.379% 2456 1.0 381 128364 6326991 5979502 1-1 20: 129 329 368 353 458 95 119 81 107 330 121 105 145 57 55 328 369 93 247 159 0.848 31.87 7.8 93 91 88 97 458 50.9 1.790 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1247 3159.9 3.0 scans 91% 57 m/z 0.077% 1.26% 2475 0.7 695 1291511 21090848 20720316 1-1 20: 57 71 85 56 421 55 69 83 99 97 70 420 422 113 127 111 84 141 155 58 0.999 32.11 1.7 98 96 99 99 421 150.2 4.678 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1004 Campesterol 32.7771 3237.4 3.5 scans 62% 129 m/z (57) 0.48% 0.663% 2537 0.9 446 205176 0.747% 11044774 9680239 12442902 0-2 20: 129 343 382 73 367 75 95 121 107 145 119 105 344 383 81 342 93 131 91 133 0.953 32.21 67.3 83 96 84 97 472 64.8 2.116 0.567 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1002 Stigmasterol 32.9822 3261.8 4.9 scans 42% 73 m/z 0.14% 1.76% 2556 1.1 684 696781 29412693 28213759 4-0 14: 73 74 651 441 247 233 248 347 246 326 209 397 290 382 0.406 32.42 66.9 82 98 42 95 665 92.0 0.000 0.563 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1046 Stigmasterol 32.9822 3261.8 4.9 scans 100% 73 m/z (309) 0.10% 4.44% 2556 1.1 1079 977750 73959200 70944441 4-0 14: 73 74 651 441 247 233 248 347 246 326 209 397 290 382 0.994 32.98 -0.0 95 95 98 97 665 10.3 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1253 3278.8 3.5 scans 92% 57 m/z 0.038% 3.15% 2570 0.5 1029 2609348 52471779 49159281 1-3 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 155 98 169 112 126 0.998 33.10 3.4 91 88 98 92 515 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN WTF2-N1034 b-Sitosterol 33.4757 3320.4 3.3 scans 86% 129 m/z 0.31% 0.924% 2603 0.7 597 316155 15404154 15404154 0-0 20: 129 357 396 73 486 381 95 75 57 107 119 121 81 397 105 145 358 55 356 159 0.999 32.88 71.1 87 99 99 99 486 81.9 1.881 0.599 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5978 3334.9 3.3 scans 86% 386 m/z 0.41% 1.02% 2615 0.8 630 241704 1.87% 17084755 16570522 31148897 1-3 19: 386 129 55 296 69 57 281 119 387 71 75 95 81 257 83 107 105 85 93 0.999 33.58 1.6 93 90 93 98 505 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7398 3351.8 3.4 scans 29% 218 m/z 0.87% 0.0983% 2628 1.0 185 113795 0.123% 1637579 1461471 2048831 1-6 7: 218 203 190 219 189 279 498 0.923 34.08 -40.6 84 90 79 91 498 13.8 0.558 -0.342 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8871 3369.3 3.2 scans 13% 441 m/z 2.3% 0.0210% 2642 1.1 88 42555 350591 330879 1-1 6: 441 442 308 646 443 647 0.903 33.80 10.9 89 90 62 92 646 16.4 3.432 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5763 3451.1 3.8 scans 43% 596 m/z 0.63% 0.143% 2708 0.9 211 157378 2393366 2308005 1-2 18: 596 597 598 331 316 318 599 302 315 356 317 303 342 297 300 330 272 288 0.965 34.47 12.4 97 97 84 99 596 108.4 26.289 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN EXBLK5S-N1006 Contamination 6.3762 1048.6 3.2 scans 59% TIC 1.1% 0.0207% 28 2.2 134 88058 0.0983% 539570 539570 2554921 0-0 0.879 6.63 -14.7 96 96 85 96 295 41.6 9.639 -0.249 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8928 1079.2 >8 scans 21% 147 m/z 10% 0.00680% 77 0.3 46 9678 0.0180% 176800 175732 467839 0-1 5: 147 117 190 191 66 0.943 6.82 4.3 90 92 87 92 295 0.0 0.000 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8451 1135.6 >4 scans 58% TIC 3.9% 0.00556% 167 1.4 66 25422 0.254% 144578 134410 6601729 0-1 0.932 7.79 3.0 86 85 79 89 219 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1192 Contamination 8.0082 1145.3 2.4 scans 96% TIC 0.13% 0.367% 183 1.1 501 751742 9555154 9095025 6-1 0.994 7.99 1.1 99 98 97 99 235 100.7 4.042 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1026 Cadaverine NC 8.1292 1152.5 2.3 scans 76% 174 m/z 1.1% 0.0228% 194 0.9 129 88968 593178 576450 3-0 14: 174 175 216 86 142 176 160 100 59 130 161 217 143 131 0.997 7.74 23.3 95 94 91 98 216 31.1 5.849 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1188 Contamination 8.3112 1163.3 2.4 scans 62% 281 m/z 3.7% 0.00956% 211 1.0 83 26730 248479 244812 1-0 14: 281 147 369 282 283 370 148 265 207 371 249 149 197 191 0.784 8.41 -6.1 95 94 84 96 369 26.2 9.870 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1186 Phosphate 8.5279 1176.1 2.1 scans 91% 241 m/z 0.44% 0.0472% 232 1.2 198 222629 1226958 1193446 1-0 20: 241 242 133 211 243 256 73 163 135 195 98 59 89 137 212 121 119 164 113 134 0.994 8.56 -1.9 100 99 96 99 299 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1180 Benzoic acid 9.6917 1244.5 3.5 scans 77% TIC 3.5% 0.00983% 343 0.7 79 27894 0.0470% 255650 244914 1221580 0-1 0.991 9.76 -4.0 96 95 89 97 194 12.4 2.476 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN VEN77_S6-N1002 Glycerol 10.0505 1265.5 4.9 scans 94% 299 m/z 0.015% 3.39% 377 0.4 1140 6338652 88182082 87206585 1-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 135 302 74 75 225 59 131 0.979 10.09 -2.5 99 98 95 99 299 663.2 33.995 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LACTIC~1-N1034 Glycerol 10.0557 1265.8 3.5 scans 7.1% 147 m/z (299) 0.23% 0.223% 377 0.4 314 425953 5810097 5586579 1-1 20: 147 103 117 148 206 149 177 101 104 89 203 118 175 116 58 183 150 176 161 88 0.647 10.11 -3.2 87 95 58 93 293 21.2 0.459 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6828 1302.6 2.6 scans 76% 199 m/z 1.0% 0.0621% 437 0.9 197 92992 1615185 1462338 12-1 20: 199 75 73 117 145 132 129 131 200 74 118 61 79 76 201 133 155 146 72 107 0.933 10.73 -3.0 98 97 92 99 209 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1168 Glyceric acid 10.9585 1319.2 2.5 scans 65% 147 m/z 7.7% 0.00650% 463 1.3 69 12876 0.0116% 169023 152554 301496 1-0 9: 147 73 292 189 57 133 205 103 293 0.972 11.05 -5.7 84 85 66 85 292 19.6 7.919 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0153 1322.6 2.6 scans 71% 184 m/z 2.8% 0.0217% 468 1.0 118 35051 565731 514982 1-1 18: 184 134 285 174 77 86 100 286 59 227 185 172 175 135 186 130 110 178 0.959 11.06 -2.9 97 97 92 98 285 33.9 8.235 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3910 1345.2 2.8 scans 20% 57 m/z (84) 0.35% 0.129% 504 1.0 251 278236 3376692 2863295 4-5 16: 57 97 115 145 127 129 111 109 72 128 71 98 201 113 114 110 0.934 11.45 -3.3 95 98 95 98 145 72.7 8.410 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4278 1347.4 3.6 scans 96% TIC 0.019% 2.10% 508 0.4 995 5057487 2.14% 54722711 52454720 55620865 3-0 0.995 10.96 28.4 97 98 97 98 161 259.4 6.796 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN TAB_REP6-N1026 Malic acid 13.4585 1472.9 2.5 scans 94% 73 m/z 0.26% 0.148% 701 1.1 318 375033 3851013 3848429 1-0 20: 73 147 233 245 133 189 190 148 75 74 175 191 55 101 149 335 234 59 217 307 0.998 13.53 -4.7 99 98 97 98 335 37.3 1.378 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9520 1504.2 2.9 scans 31% 156 m/z 5.4% 0.00444% 748 1.1 51 18279 115407 115407 0-0 4: 156 157 258 230 0.978 14.11 -10.5 89 90 80 90 273 0.0 0.000 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1134 GABA 14.1172 1515.1 2.5 scans 43% 174 m/z (69) 3.4% 0.0128% 763 1.1 92 29305 333887 306820 1-3 13: 174 304 175 147 305 86 176 143 59 100 246 306 109 0.995 14.24 -8.3 85 85 77 92 304 20.7 5.087 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6696 1551.8 2.7 scans 96% TIC 0.090% 0.324% 816 1.0 458 1100714 0.351% 8439354 8439354 9122862 0-0 1.000 14.16 33.5 91 91 89 98 250 85.3 3.469 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1044 Dodecanol 14.7159 1554.8 >4 scans 65% TIC 2.0% 0.0207% 820 3.2 110 48460 0.290% 539945 539945 7537407 0-0 0.847 14.24 31.4 91 93 79 95 243 58.0 28.021 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1694 1584.9 2.5 scans 71% 342 m/z 2.1% 0.0184% 863 1.1 113 47454 478233 478233 0-1 10: 342 239 343 344 240 327 241 254 179 345 0.991 14.37 52.7 80 88 80 88 342 57.4 25.836 0.795 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1816 1654.5 2.8 scans 57% 290 m/z 1.3% 0.0195% 959 1.9 99 73594 507200 483457 1-2 8: 290 291 292 158 144 392 115 293 0.791 16.28 -6.6 93 91 60 96 392 15.8 2.556 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.0 scans 55% 55 m/z 3.3% 0.0143% 993 1.4 90 29766 0.0181% 372775 282132 470438 0-2 17: 55 83 56 69 70 97 111 82 98 84 127 68 140 67 96 125 54 0.897 16.63 -6.5 83 86 77 85 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1010 Glycerol-P 17.4569 1745.2 2.6 scans 89% 357 m/z 0.27% 0.313% 1081 0.9 455 358084 8151962 8078720 2-0 20: 357 299 73 358 147 315 300 370 445 211 101 103 359 301 387 133 256 129 328 218 0.969 16.97 35.7 96 99 97 99 445 69.4 2.326 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5400 1751.3 2.7 scans 63% 217 m/z 1.3% 0.0298% 1089 1.0 139 74167 0.125% 776954 737564 3248882 0-1 16: 217 73 218 147 219 450 191 305 232 148 257 451 149 169 203 175 0.994 17.63 -6.7 85 84 76 85 450 19.4 1.929 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN TAB_REP6-N1048 Citric acid 18.2313 1801.9 2.7 scans 70% 273 m/z 2.0% 0.0261% 1154 1.1 132 49274 0.0270% 680508 680508 701759 0-0 17: 273 147 274 363 347 375 465 211 275 148 149 183 305 364 221 348 376 0.977 18.24 -0.9 94 94 91 95 465 18.9 2.038 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4186 1816.1 4.0 scans 95% 73 m/z 0.029% 4.06% 1172 0.5 1320 3388438 105739340 101158730 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 66 133 58 213 90 121 77 0.994 17.91 37.9 96 99 98 99 327 126.1 0.913 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1012 Phytol 18.5512 1826.3 3.0 scans 97% 68 m/z 0.089% 1.44% 1185 0.6 898 1116550 1.53% 37577554 36880379 39766320 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.2 95 98 99 99 278 51.0 0.322 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6417 1833.2 2.7 scans 62% 285 m/z (70) 1.5% 0.0455% 1193 1.1 164 63674 0.849% 1184417 1092716 22066409 13-0 17: 285 117 75 132 129 286 145 131 118 201 300 287 116 130 241 61 76 0.954 18.73 -6.5 94 96 83 95 300 15.6 0.904 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1076 Pregnane?? 18.7658 1842.6 2.7 scans 63% 345 m/z 2.3% 0.0204% 1205 1.0 116 42564 0.0247% 531853 531853 641979 0-0 11: 345 255 346 347 256 148 334 243 435 419 149 0.872 18.86 -7.1 83 83 74 83 537 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1002 Phytol 18.8min 18.8437 1848.6 2.7 scans 92% 81 m/z 0.78% 0.167% 1212 1.2 320 127086 4360155 4192463 1-3 20: 81 82 68 95 123 57 69 55 83 67 79 71 96 124 97 109 53 56 278 110 0.998 18.84 0.3 99 98 99 98 278 35.6 1.238 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9394 1855.9 2.8 scans 84% 73 m/z 0.69% 0.0778% 1222 1.1 217 143728 0.0794% 2024283 1930636 2063690 4-3 20: 73 103 307 217 147 308 218 277 133 104 309 74 205 364 189 117 89 219 148 172 0.997 18.40 40.9 93 96 97 99 364 20.8 0.917 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1072 Fructose 19.0583 1864.9 2.8 scans 57% 73 m/z (81) 0.80% 0.0712% 1233 1.2 200 123806 0.154% 1850566 1662312 4002623 5-3 20: 73 103 307 217 147 308 218 277 309 364 89 104 74 262 205 148 133 117 219 189 0.935 19.03 1.9 88 89 89 89 364 18.9 0.895 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1018 Fructose 19.0583 1864.9 2.8 scans 54% 73 m/z 0.83% 0.0622% 1233 1.2 194 119807 0.135% 1618443 1453802 3508793 5-3 20: 73 103 307 217 147 308 218 277 309 364 89 104 74 262 205 148 133 117 219 189 0.983 18.52 40.6 89 93 92 97 364 19.3 0.986 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0888 1867.3 2.8 scans 93% 81 m/z 0.37% 0.337% 1236 0.9 453 266715 8782014 8508782 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 53 111 56 0.997 18.58 38.9 93 95 98 99 278 58.3 1.655 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN BRA4_R~2-N1004 Galactose 19.2593 1880.3 2.8 scans 79% 73 m/z (365) 0.48% 0.129% 1252 0.8 273 205703 0.134% 3373948 3106811 3482802 2-1 19: 73 319 205 160 147 320 217 103 206 321 117 229 189 74 148 133 161 89 129 0.993 19.36 -7.8 94 95 94 97 364 16.4 0.360 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9085 1931.4 2.7 scans 57% 204 m/z 1.1% 0.0308% 1314 1.0 137 87806 0.0363% 800549 716149 943475 3-6 11: 204 159 205 217 206 218 191 160 203 291 243 0.879 19.91 -0.3 90 90 84 90 361 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7818 2001.7 2.8 scans 94% TIC 0.29% 0.492% 1397 0.9 542 338317 0.546% 12812872 12297383 14191118 1-3 0.999 20.27 41.5 83 83 94 98 322 35.2 0.422 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1038 C16:0 21.1469 2032.3 3.4 scans 97% 313 m/z 0.033% 3.01% 1431 0.4 1228 2941627 78336559 75946710 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 69 315 201 74 269 285 1.000 20.62 44.0 94 99 99 100 328 139.2 1.286 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6583 2075.3 2.7 scans 77% 305 m/z 0.94% 0.0891% 1480 1.0 241 105883 2317479 2203923 2-1 18: 305 217 147 318 191 306 319 265 218 204 307 432 433 367 320 148 192 291 0.998 21.75 -7.6 97 96 94 96 507 15.7 0.423 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN FAME-N1014 C18:0-methyl ester 22.0802 2111.2 2.8 scans 32% 74 m/z 4.0% 0.0111% 1520 0.9 84 24814 289029 273463 3-1 8: 74 87 298 143 255 199 267 59 0.718 22.28 -17.1 81 82 75 82 298 17.9 4.550 -0.196 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1697 2119.0 2.7 scans 28% 396 m/z 4.5% 0.0113% 1529 1.0 84 21805 0.0122% 296011 280546 317091 1-0 8: 396 219 397 381 398 220 307 382 0.729 22.19 -1.5 90 91 75 91 396 36.3 18.811 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2738 2128.1 2.7 scans 43% 327 m/z 2.6% 0.0296% 1538 1.0 133 37242 0.0300% 769402 749703 779732 4-2 9: 327 117 132 328 342 329 299 146 283 0.925 22.33 -4.9 96 96 90 96 342 16.8 1.596 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1040 Phytol 22.6158 2158.0 2.9 scans 94% 143 m/z 0.048% 0.640% 1571 0.9 622 2066753 16660194 16168673 4-1 20: 143 73 75 144 123 81 57 55 145 69 124 95 103 71 83 82 97 67 74 96 0.999 22.08 46.5 81 82 90 97 181 8.6 0.019 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1042 C18:2 23.0398 2195.0 >6 scans 92% 73 m/z (342) 0.19% 1.16% 1611 1.4 601 509349 6.25% 30256370 28237232 162444116 6-0 20: 73 117 74 156 143 201 118 229 134 155 169 180 153 101 58 167 205 209 218 182 0.988 22.53 44.2 88 95 97 99 352 32.4 0.290 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1619 2205.9 5.1 scans 94% 75 m/z (357) 0.045% 6.76% 1623 0.3 1486 2222035 7.46% 175889543 164683232 193893296 0-9 20: 75 79 73 95 67 93 335 108 81 129 55 80 117 91 107 94 121 339 77 135 0.992 23.12 4.1 97 98 99 99 350 103.6 0.486 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1036 C18:0 23.3997 2227.7 2.7 scans 93% 341 m/z 0.13% 0.665% 1645 0.9 641 728994 17302225 17091542 1-2 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 69 131 343 74 201 297 116 1.000 22.89 45.9 94 99 99 100 356 80.0 1.555 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7048 2255.6 2.9 scans 12% 163 m/z 3.3% 0.00801% 1674 1.1 65 29983 0.00835% 208219 182813 217025 2-5 6: 163 331 164 165 88 178 0.660 23.72 -1.3 86 91 55 89 331 16.9 6.735 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1018 myo-Inositol 25.2126 2397.1 3.4 scans 70% TIC 0.74% 0.125% 1818 1.2 260 133983 0.216% 3267800 3145422 5614069 1-7 0.955 25.21 0.3 98 97 94 99 470 17.6 0.459 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6146 2436.8 3.2 scans 58% 91 m/z 0.49% 0.0654% 1856 1.3 187 200626 1701159 1619581 1-3 18: 91 117 194 207 92 208 115 65 193 312 104 118 51 78 179 178 195 102 0.951 25.61 0.5 98 97 96 98 312 21.7 1.340 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4006 2515.2 2.8 scans 93% 204 m/z 0.027% 1.54% 1931 0.7 962 3584471 40224923 39320868 1-0 20: 204 73 205 147 217 495 206 117 363 129 273 191 74 103 130 496 143 75 231 131 0.999 26.35 5.2 96 95 98 95 495 148.8 2.406 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5573 2531.4 2.9 scans 24% 512 m/z 1.5% 0.0471% 1946 1.0 166 65199 1225240 1225240 0-0 13: 512 455 247 456 483 248 263 457 349 484 249 235 234 0.936 26.57 -1.7 93 93 79 94 512 58.4 12.346 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9309 2570.0 2.8 scans 90% 371 m/z 0.044% 1.22% 1981 0.8 897 2261195 31713296 31555064 0-1 20: 371 372 73 147 129 57 205 203 239 55 103 373 71 459 116 145 75 101 117 85 1.000 26.39 55.4 90 97 97 100 459 109.5 1.494 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1018 Sucrose 27.4170 2620.9 2.8 scans 20% 361 m/z 1.0% 0.0426% 2027 1.1 160 94958 1108699 953336 23-1 10: 361 362 437 363 451 438 439 364 452 453 0.687 27.47 -5.6 94 94 78 96 437 33.4 4.327 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN LQC1-N1010 Sucrose 27.4170 2620.9 2.8 scans 24% 361 m/z (397) 1.0% 0.0571% 2027 1.1 175 94964 1484196 1276214 23-1 10: 361 362 437 363 451 438 439 364 452 453 0.912 27.58 -17.3 90 91 83 96 437 33.1 3.562 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7301 2764.4 2.8 scans 89% 399 m/z 0.074% 0.787% 2152 0.8 713 1348767 20459497 20067645 0-1 20: 399 400 73 147 129 57 205 203 401 103 55 71 487 383 116 75 145 117 101 69 0.999 28.19 60.5 87 95 96 98 487 86.5 1.474 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1034 Nonacosane 29.5088 2851.9 2.9 scans 62% 57 m/z 0.38% 0.129% 2226 1.1 297 261314 3365366 3042612 5-1 20: 57 71 85 55 99 56 69 365 83 70 97 113 127 111 141 84 366 393 364 98 0.996 29.50 0.4 95 93 98 99 408 9.3 0.098 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8328 2888.4 2.9 scans 56% 57 m/z 0.35% 0.166% 2257 1.5 302 278112 0.254% 4334581 3523892 6601729 6-5 18: 57 71 85 55 99 69 83 56 70 113 84 127 141 111 72 112 58 82 0.976 29.83 0.7 95 95 97 99 408 16.6 0.304 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4652 2962.9 3.0 scans 54% 57 m/z (292) 0.31% 0.170% 2317 0.7 312 313829 0.392% 4426751 4426751 10188495 0-0 15: 57 71 56 85 393 55 99 83 70 392 394 141 84 365 58 0.997 30.46 0.3 95 95 97 98 393 71.4 5.244 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2196 3052.4 3.0 scans 84% 57 m/z 0.081% 0.780% 2389 0.7 668 1220716 20279594 19861110 3-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 155 98 394 82 0.984 31.21 0.9 98 96 99 100 393 99.4 2.217 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1048 Hentriacontane 31.5237 3088.6 3.1 scans 78% 57 m/z 0.085% 0.735% 2418 0.7 645 1162935 19109049 18916106 0-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 125 0.996 31.53 -0.9 97 95 99 99 436 34.9 0.293 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8141 3123.1 2.8 scans 69% 502 m/z 0.15% 0.303% 2445 0.9 442 649640 7894402 7241815 1-1 15: 502 237 503 73 236 504 238 277 221 208 239 223 74 505 467 0.986 31.79 2.7 99 98 97 100 502 212.3 23.037 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9393 3137.9 3.0 scans 59% 329 m/z 0.81% 0.230% 2457 0.9 374 121980 5986435 5755169 1-1 16: 329 129 368 353 458 330 105 369 121 328 107 119 145 459 159 247 0.961 31.87 8.5 93 91 92 97 458 49.1 1.725 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1203 3159.4 2.9 scans 67% 57 m/z 0.097% 0.613% 2474 0.8 607 1029988 0.693% 15945054 15570185 18011804 2-1 20: 57 71 85 56 421 55 83 69 99 97 70 113 420 422 127 111 141 84 58 155 0.989 32.11 1.2 97 94 99 99 421 135.5 4.986 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1004 Campesterol 32.7800 3237.8 3.4 scans 45% 343 m/z (57) 0.57% 0.327% 2537 0.9 397 174275 0.378% 8520656 8178722 9824620 0-1 15: 343 382 472 367 344 107 383 119 342 145 121 105 473 159 457 0.955 32.21 67.7 81 94 83 97 472 61.5 2.397 0.570 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1046 Stigmasterol 32.9894 3262.6 3.7 scans 75% 83 m/z (309) 0.12% 1.69% 2557 0.6 891 777543 44168269 42299996 1-1 20: 83 129 55 255 69 394 484 81 75 133 159 119 145 105 107 93 95 97 355 351 0.991 32.98 0.8 95 97 99 98 665 8.7 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1230 3278.5 3.5 scans 85% 57 m/z 0.044% 1.81% 2570 0.5 940 2248793 47209880 45999996 1-0 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 84 141 155 98 112 125 169 0.999 33.10 3.1 86 83 96 93 515 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN WTF2-N1034 b-Sitosterol 33.4766 3320.5 3.3 scans 70% 129 m/z 0.31% 0.575% 2603 0.8 575 314862 1.17% 14951079 14421789 30409538 1-3 19: 129 357 396 486 381 95 107 358 75 145 57 121 119 105 397 81 356 159 55 0.994 32.88 71.2 86 98 98 99 486 80.0 1.939 0.600 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6007 3335.2 3.2 scans 75% 386 m/z 0.37% 0.626% 2615 0.9 611 266512 0.833% 16276271 16025524 21650552 1-2 16: 386 296 129 55 69 281 387 119 257 95 107 105 83 93 145 121 0.996 33.58 1.9 92 89 94 97 505 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7459 3352.5 3.6 scans 33% 218 m/z 0.40% 0.132% 2629 0.9 256 245723 0.137% 3453944 3223979 3560775 2-5 10: 218 203 190 219 189 135 175 136 279 137 0.857 34.08 -39.9 86 92 76 92 498 18.0 0.493 -0.336 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8912 3369.7 3.4 scans 15% 441 m/z 0.90% 0.0372% 2642 0.9 135 110244 969370 967810 0-1 6: 441 442 646 308 443 647 0.782 33.80 11.3 93 93 72 95 646 25.2 3.469 0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5803 3451.6 3.6 scans 33% 596 m/z 0.50% 0.106% 2708 0.9 227 199121 2762985 2557906 1-3 17: 596 597 598 331 316 599 302 315 318 356 303 300 317 330 301 286 357 0.911 34.47 12.9 97 96 85 99 596 117.5 26.903 0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN EXBLK5S-N1006 Contamination 6.3784 1048.7 2.6 scans 73% TIC 0.72% 0.0243% 28 0.9 177 137031 0.108% 769974 766480 3419088 0-1 0.973 6.63 -14.6 97 96 90 97 295 55.1 9.676 -0.247 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8851 1138.0 2.6 scans 53% 147 m/z (89) 3.1% 0.00626% 171 1.8 80 31327 0.126% 198395 198395 3988936 0-0 8: 147 73 148 66 149 219 74 72 0.983 7.79 5.4 91 93 87 93 219 10.5 1.724 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1192 Contamination 8.0440 1147.4 2.3 scans 94% 73 m/z 0.22% 0.182% 186 0.9 419 452090 0.238% 5779679 5477044 7534657 2-4 20: 73 147 133 235 220 59 148 146 96 72 86 74 160 89 75 100 103 149 131 134 0.999 7.99 3.2 94 91 90 97 235 81.0 3.733 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1026 Cadaverine NC 8.1387 1153.0 2.3 scans 89% 174 m/z 0.32% 0.0684% 195 1.1 257 312335 0.151% 2165697 2001777 4780392 3-1 20: 174 73 175 216 142 86 59 100 176 160 130 217 155 74 143 131 231 144 87 172 1.000 7.74 23.8 94 92 90 99 216 59.9 5.440 0.403 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1188 Contamination 8.3218 1163.9 2.4 scans 68% 281 m/z 2.5% 0.0145% 212 1.0 116 39988 459659 436739 1-1 16: 281 147 369 282 283 370 265 148 371 249 207 149 191 193 133 284 0.943 8.41 -5.5 96 95 78 98 369 33.8 8.545 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1186 Phosphate 8.5659 1178.4 2.4 scans 96% 241 m/z 0.12% 0.172% 236 1.0 402 827286 5471445 5293054 1-1 20: 241 242 133 211 163 73 256 243 135 195 59 98 89 119 137 147 121 181 257 134 1.000 8.56 0.4 100 99 99 100 299 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1180 Benzoic acid 9.7244 1246.4 2.6 scans 50% 179 m/z (217) 4.0% 0.00719% 346 1.3 75 24954 0.00777% 227797 218256 245984 2-1 8: 179 105 135 77 180 194 51 136 0.980 9.76 -2.1 92 94 85 95 194 10.8 2.060 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN VEN77_S6-N1002 Glycerol 10.1011 1268.5 6.5 scans 100% 299 m/z 0.011% 5.86% 382 0.2 1486 8784704 185702622 185702622 0-0 17: 299 70 55 113 157 200 126 56 83 294 86 110 98 201 240 263 100 0.981 10.09 0.5 98 97 94 98 299 811.5 29.974 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7092 1304.2 2.7 scans 70% 199 m/z (69) 1.1% 0.0566% 439 1.0 200 89551 0.0601% 1793798 1564437 1902659 6-1 20: 199 75 117 73 145 132 129 200 131 74 118 79 76 61 81 201 155 119 107 133 0.994 10.73 -1.4 96 97 96 99 209 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0522 1324.8 2.5 scans 43% 184 m/z 6.3% 0.00520% 472 0.9 70 15699 164826 164826 1-0 8: 184 134 285 174 227 86 100 172 0.983 11.06 -0.7 90 91 80 91 285 23.3 11.009 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4142 1346.6 3.1 scans 24% 57 m/z 0.39% 0.0845% 506 1.1 239 250574 0.109% 2676115 2601436 3450746 2-0 20: 57 97 115 145 127 129 69 111 59 109 128 71 72 98 87 201 136 113 114 96 0.992 11.45 -1.9 93 93 87 94 145 69.9 8.583 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4710 1350.0 3.7 scans 97% 84 m/z 0.013% 2.76% 512 0.4 1274 7273379 87493981 87485727 1-0 20: 84 133 162 161 119 92 82 118 85 65 51 130 78 134 117 63 55 77 91 163 0.996 10.96 31.0 94 95 96 98 161 338.1 7.050 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN TAB_REP6-N1026 Malic acid 13.4755 1474.0 2.5 scans 78% 73 m/z 0.71% 0.0541% 702 1.1 221 139819 1714565 1535401 3-1 20: 73 147 233 177 245 189 133 148 190 74 75 101 191 175 149 55 335 234 307 171 0.980 13.53 -3.6 93 92 88 93 335 24.1 1.191 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9721 1505.5 2.9 scans 36% 156 m/z 4.9% 0.00393% 749 1.0 55 20316 124527 124527 0-0 4: 156 157 258 230 0.935 14.11 -9.2 89 90 81 91 273 0.0 0.000 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2878 1526.4 2.6 scans 49% 263 m/z (71 173) 0.81% 0.0269% 779 1.0 150 122789 851774 834314 0-1 16: 263 264 278 265 279 175 240 207 247 335 128 149 191 135 280 205 0.927 14.33 -2.6 82 82 81 96 278 37.4 6.245 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6928 1553.3 2.7 scans 96% TIC 0.044% 0.550% 818 1.1 673 2246368 17424013 17192099 0-2 0.993 14.16 35.0 90 91 89 97 250 129.5 3.706 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1044 Dodecanol 14.7360 1556.2 2.5 scans 47% 243 m/z 1.3% 0.0150% 822 1.0 116 73327 477447 438782 3-1 7: 243 244 97 245 111 241 98 0.941 14.24 32.8 84 90 65 91 243 74.1 41.165 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1975 1655.6 2.8 scans 42% 290 m/z (195) 1.1% 0.0191% 961 1.7 117 88452 607656 596659 0-1 9: 290 291 292 392 144 115 393 100 130 0.974 16.28 -5.5 94 95 86 97 392 17.4 2.211 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5510 1680.1 3.0 scans 70% 55 m/z 2.0% 0.0248% 995 1.1 133 48802 0.0387% 785185 658615 1225173 0-5 18: 55 83 97 56 69 70 84 98 111 82 68 127 140 54 110 125 168 114 0.994 16.63 -5.3 90 90 91 90 210 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1010 Glycerol-P 17.5022 1748.6 3.7 scans 96% 357 m/z 0.025% 3.73% 1085 0.5 1552 3848243 118365236 118326489 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 129 256 133 218 328 0.995 16.97 39.1 95 99 98 99 445 242.2 2.438 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN TAB_REP6-N1048 Citric acid 18.2545 1803.6 2.8 scans 43% 273 m/z 3.8% 0.0126% 1156 1.0 102 25712 401059 372623 1-1 12: 273 363 375 347 465 211 275 364 376 257 348 183 0.961 18.24 0.8 90 89 82 92 465 14.5 2.014 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4439 1818.1 4.3 scans 95% TIC 0.032% 3.47% 1174 0.6 1315 3059078 6.73% 109866713 102139486 213059851 1-3 0.982 17.91 39.9 95 99 98 100 327 123.7 0.885 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1012 Phytol 18.5891 1829.1 4.0 scans 97% 68 m/z 0.047% 2.88% 1188 0.4 1297 2087697 3.28% 91266579 89086031 103838976 2-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 41.0 94 98 99 99 278 78.4 0.365 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1016 Hexadecene 18.6439 1833.3 2.7 scans 89% TIC 0.16% 0.362% 1193 1.2 530 590648 6.31% 11469483 10330185 199763396 0-2 0.996 18.10 40.9 85 86 93 97 280 77.1 2.115 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6617 1834.7 2.6 scans 29% 285 m/z (70) 1.1% 0.0486% 1195 1.2 205 90904 0.729% 1540631 1520593 23078846 2-0 17: 285 117 75 132 129 145 286 131 118 300 287 201 241 116 130 76 61 0.946 18.73 -5.0 94 96 84 97 300 20.3 0.982 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8701 1850.6 2.7 scans 95% TIC 0.23% 0.413% 1215 0.8 598 424764 0.464% 13077556 12599960 14689416 1-1 0.999 18.58 22.2 96 94 98 99 278 69.1 1.337 0.291 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1018 Fructose 18.9553 1857.1 2.7 scans 48% 103 m/z 2.1% 0.0190% 1223 0.9 123 45579 603739 507532 8-2 10: 103 307 217 308 218 277 104 189 309 364 0.960 18.52 32.8 88 91 88 92 364 12.2 0.986 0.430 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9553 1857.1 6.9 scans 55% TIC 1.9% 0.0100% 1223 0.8 131 50496 0.288% 317969 317969 9117569 0-0 0.995 18.40 42.1 89 93 91 95 364 12.4 0.892 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN BRA4_R~2-N1004 Galactose 19.2762 1881.6 2.8 scans 74% 319 m/z 0.81% 0.0621% 1254 0.9 222 122978 0.0670% 1966344 1935724 2121101 1-0 19: 319 73 205 160 147 320 217 103 206 321 229 117 133 148 161 189 207 89 157 0.994 19.36 -6.5 96 94 92 97 364 13.7 0.381 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9286 1933.0 2.9 scans 80% 204 m/z 0.34% 0.101% 1316 1.2 276 294111 3218346 3007328 2-2 17: 204 217 159 205 147 206 129 218 103 189 191 160 219 133 305 148 291 0.978 19.91 1.3 97 95 94 99 361 12.5 0.205 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8103 2004.1 3.2 scans 95% TIC 0.12% 1.08% 1399 0.7 891 829100 1.19% 34217641 34000516 37673287 1-1 0.997 20.27 43.9 82 83 94 99 322 60.3 0.458 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1038 C16:0 21.1765 2034.8 4.1 scans 98% 117 m/z 0.024% 4.08% 1434 0.4 1524 4075031 129247911 128155660 1-0 20: 117 73 75 132 129 145 314 55 131 118 133 57 69 201 74 315 269 116 130 83 1.000 20.62 46.5 94 99 99 100 328 173.9 1.304 0.559 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6763 2076.8 2.9 scans 47% 305 m/z 2.7% 0.0233% 1482 1.1 133 36416 737677 697240 3-2 18: 305 217 318 191 306 265 319 218 307 432 320 192 433 367 291 219 266 221 0.992 21.75 -6.1 92 92 77 92 507 9.1 0.467 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9741 2101.9 2.9 scans 54% 327 m/z 1.7% 0.0434% 1510 1.1 183 56334 1375477 1278042 1-9 8: 327 132 328 342 201 299 146 283 0.863 22.33 -31.1 93 95 88 98 342 22.5 1.515 -0.356 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1929 2121.0 2.8 scans 9.6% 396 m/z 12% 0.00298% 1531 1.1 47 7986 0.00435% 94553 84599 137713 1-0 5: 396 219 397 381 398 0.479 22.19 0.5 81 84 43 86 396 24.5 26.534 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1040 Phytol 22.6338 2159.5 3.9 scans 89% 143 m/z 0.070% 0.481% 1573 1.1 532 1425910 0.508% 15244647 13752397 16082378 5-2 20: 143 73 75 144 123 81 57 55 145 124 95 69 103 71 82 97 83 67 68 74 0.999 22.08 48.0 80 82 90 96 181 9.1 0.029 0.550 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2167 2210.9 7.6 scans 100% 117 m/z 0.033% 10.8% 1628 0.3 1786 2975310 12.2% 342617063 307295180 386230338 0-6 20: 117 96 83 97 130 132 185 57 84 98 118 199 110 111 124 155 183 265 241 169 0.993 23.12 9.1 97 97 99 97 350 123.2 0.476 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1036 C18:0 23.4261 2230.1 2.8 scans 91% TIC 0.094% 0.774% 1648 1.0 790 1054713 0.821% 24522058 22220150 25991402 2-4 0.990 22.89 48.3 92 99 96 99 356 101.6 1.656 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7302 2257.9 2.8 scans 10% 163 m/z 2.0% 0.00982% 1677 1.1 88 48939 0.0135% 311109 289478 427386 1-4 4: 163 331 165 332 0.493 23.72 1.0 84 87 53 90 331 23.5 7.173 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1595 2297.1 3.2 scans 30% 204 m/z 0.84% 0.0320% 1718 0.9 153 117961 0.0405% 1013171 972258 1282158 2-4 18: 204 217 205 337 147 103 206 338 218 219 361 189 203 339 101 243 291 221 0.644 24.18 -2.0 88 90 69 91 581 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1018 myo-Inositol 25.2285 2398.6 3.4 scans 81% TIC 0.29% 0.295% 1819 1.3 451 336076 0.463% 9342349 8941716 14657758 2-1 0.968 25.21 1.8 95 93 93 100 470 30.5 0.458 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6378 2439.1 3.2 scans 48% 91 m/z 0.60% 0.0444% 1858 1.5 174 164021 0.0576% 1408540 1318854 1823514 4-3 15: 91 117 194 207 208 92 115 193 65 312 104 118 51 178 63 0.968 25.61 2.8 95 95 96 97 312 20.7 1.414 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3175 2506.7 3.0 scans 65% 204 m/z 0.49% 0.0664% 1923 1.1 234 201730 0.345% 2103178 1996294 10922087 3-0 16: 204 73 217 205 147 219 206 218 74 103 133 305 191 101 203 148 0.977 25.86 46.0 86 88 92 99 361 10.1 0.184 0.462 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5743 2533.2 2.9 scans 42% 512 m/z 1.5% 0.0413% 1947 1.2 181 64775 1308528 1263915 1-1 16: 512 455 247 513 456 483 514 349 248 263 457 497 484 423 235 234 0.958 26.57 0.1 94 94 80 94 512 63.9 12.523 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 2.9 scans 93% 371 m/z 0.040% 1.17% 1983 0.7 962 2499851 37294427 34816740 1-1 20: 371 73 372 147 129 57 205 203 239 55 103 71 459 373 116 75 145 85 117 101 1.000 26.39 57.4 90 97 97 100 459 120.4 1.568 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1008 Sucrose 27.4360 2622.9 2.9 scans 48% 361 m/z (397) 0.54% 0.0922% 2029 1.0 263 182189 2921598 2741089 5-2 15: 361 217 362 437 363 271 451 438 169 218 319 439 452 364 272 0.955 27.59 -16.6 94 95 89 97 437 48.5 3.393 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN LQC1-N1014 Sucrose 27.4360 2622.9 2.9 scans 48% 361 m/z 0.54% 0.0865% 2029 1.0 263 182657 2740496 2571177 5-2 15: 361 217 362 437 363 271 451 438 169 218 319 439 452 364 272 0.913 27.49 -5.8 98 98 88 98 437 48.7 3.421 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7481 2766.4 3.1 scans 91% 399 m/z 0.067% 0.776% 2154 1.0 756 1481319 24572242 23853039 1-1 20: 399 400 73 147 57 129 205 203 103 55 487 401 71 116 75 145 85 101 117 267 1.000 28.19 62.5 88 98 97 100 487 94.6 1.569 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN SQUALENE-N1017 Squalene STD 29.1037 2806.4 3.6 scans 74% 69 m/z (204) 0.18% 0.242% 2188 1.2 386 535417 7675834 7406913 1-2 19: 69 81 137 95 68 136 121 93 67 123 109 149 107 70 82 135 94 53 79 0.991 29.09 1.3 96 98 98 97 410 18.2 0.223 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1034 Nonacosane 29.5320 2854.6 3.2 scans 80% 57 m/z 0.18% 0.286% 2228 1.1 451 542138 9070094 8872018 1-2 20: 57 71 85 55 99 56 69 365 83 97 113 70 127 111 141 84 393 155 366 364 0.998 29.50 3.1 94 91 97 99 408 14.9 0.109 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8529 2890.7 3.5 scans 68% 57 m/z 0.35% 0.149% 2259 1.4 319 280853 4743550 4483646 1-3 19: 57 71 85 55 99 69 83 113 97 56 70 127 84 141 98 112 58 86 155 0.993 29.83 3.0 99 98 100 100 408 20.1 0.399 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1038 Hexacosanol 30.1991 2931.2 3.6 scans 2.3% 439 m/z 11% 0.00178% 2292 1.3 33 8700 0.00306% 56385 56385 96874 0-0 2: 439 440 0.722 30.17 3.1 84 94 32 96 439 25.5 58.295 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4411 2960.0 3.5 scans 56% 193 m/z (204) 0.68% 0.184% 2315 1.4 333 146557 5832256 5437717 1-3 15: 193 119 105 163 120 194 176 91 121 171 515 247 325 106 516 0.991 30.36 9.9 83 83 86 89 529 13.1 0.156 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4884 2965.6 3.4 scans 67% 57 m/z 0.23% 0.235% 2319 0.9 389 427399 0.273% 7460512 6927806 8642695 0-2 18: 57 71 85 56 393 55 99 83 97 70 113 392 394 127 84 141 58 365 0.999 30.46 3.0 99 98 98 99 393 89.3 5.258 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2439 3055.3 3.5 scans 89% 57 m/z 0.058% 1.09% 2391 0.7 840 1711318 1.12% 34757005 33011342 35457211 2-2 20: 57 71 85 55 99 69 83 56 97 393 113 70 127 111 84 141 155 421 98 394 0.999 31.21 3.8 98 96 99 100 393 130.6 2.417 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1048 Hentriacontane 31.5459 3091.2 3.5 scans 86% 57 m/z 0.073% 0.803% 2420 0.8 729 1356592 25430205 24691559 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 82 0.999 31.53 1.7 100 99 100 99 436 41.2 0.320 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8374 3125.8 3.3 scans 70% 502 m/z 0.16% 0.285% 2447 1.1 445 610554 9047325 8653399 1-1 15: 502 237 503 73 236 238 504 277 221 223 208 239 505 74 467 0.987 31.79 5.4 99 98 97 100 502 213.9 23.146 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9699 3141.6 3.6 scans 81% TIC 0.34% 0.448% 2460 1.0 573 286544 0.553% 14197477 14197477 17506998 0-0 0.996 31.87 12.2 96 94 95 98 458 82.4 2.068 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1467 3162.6 3.2 scans 84% 57 m/z 0.067% 0.859% 2477 0.7 768 1474439 0.978% 27198704 25624183 30961744 2-2 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 111 127 141 84 155 58 0.998 32.11 4.4 97 95 98 99 421 176.8 5.303 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3382 3185.3 3.3 scans 41% 57 m/z 0.44% 0.114% 2495 1.2 297 224438 3627384 3392575 2-1 16: 57 71 85 99 83 56 97 113 70 127 84 141 98 140 58 112 0.933 32.33 1.4 88 89 97 90 785 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1004 Campesterol 32.8085 3241.2 4.3 scans 43% 343 m/z 0.42% 0.438% 2540 1.0 483 236427 0.488% 13881616 13532361 15449214 0-1 15: 343 129 382 472 367 344 383 121 342 107 119 145 105 473 159 0.971 32.21 71.1 81 93 80 95 472 78.4 2.638 0.599 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1046 Stigmasterol 33.0242 3266.8 4.0 scans 89% 83 m/z 0.087% 2.30% 2560 0.5 1161 1139826 72866573 70347664 1-2 20: 83 129 255 55 394 484 69 81 133 159 75 119 145 105 107 95 355 93 351 97 0.988 32.98 5.0 96 95 98 97 665 0.0 0.000 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1473 3281.4 3.7 scans 89% 57 m/z 0.034% 1.93% 2572 0.5 1106 2859693 61250750 59137941 1-1 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 141 84 155 98 112 169 125 0.998 33.10 6.0 89 87 97 92 515 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN WTF2-N1034 b-Sitosterol 33.5093 3324.4 3.8 scans 72% 129 m/z 0.29% 0.661% 2606 0.9 636 343362 20936940 19062144 12-1 19: 129 357 396 486 381 95 107 358 121 119 75 397 145 81 356 57 105 55 159 0.996 32.88 75.1 85 97 98 99 486 89.9 1.996 0.632 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6303 3338.8 3.6 scans 74% 386 m/z 0.35% 0.625% 2618 0.9 663 285407 1.38% 19817295 19216228 43688350 2-3 13: 386 296 129 55 281 387 119 257 107 105 145 121 159 0.996 33.58 5.5 92 89 93 98 505 0.0 0.000 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7755 3356.0 8.2 scans 66% TIC 0.12% 0.497% 2632 2.5 562 802676 2.20% 15734792 15175228 69648094 0-3 0.980 34.08 -36.4 87 89 91 95 498 34.2 0.370 -0.306 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9165 3372.7 3.6 scans 12% 441 m/z 0.93% 0.0297% 2645 1.1 136 107025 942925 910858 1-1 8: 441 442 646 308 443 647 510 427 0.728 33.80 14.3 94 94 72 95 646 25.5 3.518 0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6131 3455.5 4.6 scans 42% 596 m/z 0.26% 0.212% 2711 1.0 327 377441 6723850 6348160 1-2 18: 596 597 598 331 316 599 302 315 356 318 303 317 300 341 304 286 600 370 0.938 34.47 16.8 97 95 85 99 596 168.2 26.510 0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN EXBLK5S-N1006 Contamination 6.3836 1049.0 2.1 scans 71% 207 m/z 0.65% 0.0301% 28 1.3 181 153725 0.0464% 988357 988357 1521469 0-0 17: 207 73 295 208 209 296 191 297 279 74 193 189 133 210 114 177 60 0.955 6.63 -14.3 96 95 85 96 295 54.8 9.158 -0.241 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9072 1139.3 >5 scans 42% TIC 4.2% 0.00352% 173 3.2 62 23462 0.160% 115473 115473 5246444 0-0 0.870 7.79 6.7 92 95 81 93 219 7.8 1.598 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1192 Contamination 8.0640 1148.6 2.4 scans 95% TIC 0.15% 0.258% 188 0.8 459 658644 0.313% 8490807 7752237 10263355 8-2 0.999 7.99 4.4 97 96 97 97 235 93.8 4.175 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1026 Cadaverine NC 8.1408 1153.2 2.4 scans 84% TIC 0.54% 0.0349% 195 1.6 182 184785 0.0485% 1147552 1135610 1590328 1-2 0.990 7.74 24.0 95 94 92 99 216 43.6 5.749 0.405 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1188 Contamination 8.3218 1163.9 2.6 scans 73% TIC 1.7% 0.0224% 212 1.6 131 56259 0.0288% 734816 683402 944360 0-8 0.880 8.41 -5.5 96 94 74 99 369 37.4 8.095 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1186 Phosphate 8.5796 1179.2 2.1 scans 97% 241 m/z 0.077% 0.224% 237 1.0 472 1284878 7350206 7350206 0-0 20: 241 242 133 211 73 256 163 243 195 135 98 59 89 119 147 137 134 181 257 212 1.000 8.56 1.2 100 99 99 100 299 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1180 Benzoic acid 9.7338 1247.0 2.6 scans 36% 179 m/z 5.3% 0.00525% 347 1.1 63 18519 172220 172220 0-1 5: 179 105 135 180 194 0.953 9.76 -1.5 94 94 85 95 194 8.9 1.978 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN VEN77_S6-N1002 Glycerol 10.0905 1267.8 5.6 scans 92% 299 m/z 0.011% 4.77% 381 0.4 1368 8446374 156487943 155798959 1-0 20: 299 73 300 314 133 283 207 315 211 193 191 135 74 225 75 131 284 59 115 208 0.977 10.09 -0.2 98 97 94 98 299 747.3 30.004 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7134 1304.4 2.6 scans 82% 199 m/z (69) 1.0% 0.0591% 440 0.7 197 94287 1940904 1660930 9-1 16: 199 75 117 73 145 132 129 200 131 74 118 61 201 76 155 119 0.999 10.73 -1.2 95 95 96 99 209 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1168 Glyceric acid 10.9828 1320.6 2.6 scans 51% 73 m/z 4.3% 0.00659% 465 1.3 77 23145 0.0115% 216305 214419 377088 1-0 13: 73 189 147 292 133 205 103 293 102 148 190 117 307 0.928 11.05 -4.3 86 84 81 91 292 22.3 8.373 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0491 1324.6 2.8 scans 66% TIC 3.2% 0.0142% 472 0.6 99 30588 0.0336% 466679 435981 1101753 0-5 0.906 11.06 -0.9 97 97 92 97 285 30.8 9.620 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4174 1346.8 2.9 scans 20% 57 m/z (84) 0.41% 0.0919% 507 0.8 231 238648 0.115% 3014404 2998121 3770881 1-0 20: 57 97 115 145 127 129 69 59 109 111 128 72 58 98 71 87 201 114 113 96 0.956 11.45 -1.7 95 98 94 98 145 69.6 9.053 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4605 1349.4 3.3 scans 95% TIC 0.019% 1.61% 511 0.4 980 5094227 53108997 49838561 4-2 0.990 10.96 30.4 96 97 97 98 161 258.0 6.943 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN TAB_REP6-N1026 Malic acid 13.4744 1473.9 2.6 scans 88% 73 m/z 0.40% 0.0886% 702 1.1 271 248213 2905916 2737144 2-1 20: 73 147 233 245 133 189 148 190 177 75 175 74 191 149 101 335 234 55 59 307 0.986 13.53 -3.7 97 96 94 97 335 31.8 1.379 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9721 1505.5 2.9 scans 32% 156 m/z 5.3% 0.00334% 749 1.0 49 18849 109683 109683 0-0 4: 156 157 258 230 0.947 14.11 -9.2 89 90 78 90 273 0.0 0.000 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6918 1553.2 2.7 scans 96% TIC 0.061% 0.379% 818 1.0 537 1629415 0.405% 12451933 12451933 13280060 0-0 0.995 14.16 34.9 90 91 89 97 250 103.0 3.675 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 >2 scans 85% TIC 1.0% 0.0273% 822 2.7 157 99092 0.439% 895541 895541 14394930 0-0 0.995 14.24 32.6 94 96 93 98 243 80.9 26.526 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1975 1655.6 2.9 scans 49% 290 m/z (195) 1.0% 0.0212% 961 1.7 116 94023 698170 666975 1-3 10: 290 291 292 392 158 144 131 115 393 293 0.992 16.28 -5.5 96 97 89 98 392 17.4 2.264 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5500 1680.1 2.8 scans 74% 55 m/z 0.91% 0.0613% 994 1.4 183 109414 0.0690% 2010850 1502420 2262529 10-4 18: 55 69 83 56 97 70 84 111 127 82 98 68 113 140 96 54 67 125 0.908 16.63 -5.3 94 94 86 93 210 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1010 Glycerol-P 17.4927 1747.9 3.1 scans 97% 357 m/z 0.030% 2.59% 1084 0.6 1346 3329364 85174680 85151089 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 129 256 387 133 218 75 1.000 16.97 38.4 95 99 98 99 445 213.5 2.517 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN TAB_REP6-N1048 Citric acid 18.2503 1803.3 2.7 scans 31% 273 m/z 3.9% 0.00802% 1156 1.0 80 25167 263105 263105 0-1 14: 273 363 274 347 375 465 156 211 275 183 364 221 257 231 0.737 18.24 0.5 84 86 55 87 465 14.0 3.063 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4429 1818.0 4.5 scans 95% 73 m/z 0.030% 3.47% 1174 0.4 1264 3299279 114043522 111164483 1-1 20: 73 76 135 120 119 132 149 136 62 74 78 133 213 58 90 77 121 75 117 137 0.993 17.91 39.8 95 99 98 99 327 121.4 0.924 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1012 Phytol 18.5839 1828.7 3.4 scans 97% 68 m/z 0.047% 2.48% 1188 0.4 1223 2095444 2.80% 81383062 79101554 91812763 3-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 56 79 70 110 1.000 18.04 40.6 94 98 99 99 278 72.5 0.351 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1016 Hexadecene 18.6417 1833.2 3.0 scans 83% TIC 0.20% 0.301% 1193 1.6 455 482271 5.63% 9880034 9648393 184609234 0-1 0.993 18.10 40.8 85 86 93 97 280 66.3 2.122 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6607 1834.6 2.8 scans 50% 285 m/z (70) 0.68% 0.0804% 1195 1.2 241 145051 1.15% 2638851 2363677 37708813 1-2 20: 285 117 73 75 132 129 286 145 131 118 287 300 74 201 116 133 61 130 76 241 0.946 18.73 -5.1 95 97 85 97 300 23.6 0.956 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1002 Phytol 18.8min 18.8669 1850.3 2.8 scans 94% 81 m/z 0.31% 0.334% 1215 0.9 486 319045 0.342% 10979119 10093611 11214273 1-7 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 278 53 56 110 0.996 18.84 2.0 96 95 99 96 278 56.9 1.373 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1072 Fructose 18.9521 1856.8 2.7 scans 78% 73 m/z 0.62% 0.0657% 1223 0.9 222 158775 2156968 1986197 8-2 20: 73 103 217 307 147 308 277 218 133 309 104 74 189 205 364 117 89 172 148 219 0.998 19.03 -6.2 93 92 93 92 364 21.4 0.921 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1131 1869.1 3.0 scans 97% TIC 0.14% 0.757% 1238 0.6 714 686614 24846994 23762498 1-1 0.999 18.58 40.7 92 95 98 99 278 97.5 1.864 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1064 Mannose 19.2720 1881.2 2.8 scans 86% TIC 0.38% 0.118% 1253 1.1 306 258987 0.845% 3870185 3622410 27707780 4-1 0.991 19.45 -14.0 97 96 95 96 319 109.3 12.756 -0.183 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN BRA4_R~2-N1004 Galactose 19.5203 1900.2 2.7 scans 61% 319 m/z 2.1% 0.0324% 1277 0.9 156 45717 1064130 1051389 2-0 9: 319 160 320 103 321 102 161 229 218 0.957 19.36 12.1 86 86 62 87 364 0.0 0.000 0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9265 1932.8 3.2 scans 86% TIC 0.26% 0.157% 1315 1.1 302 377308 0.183% 5169525 4411082 6000620 2-2 0.980 19.91 1.1 96 94 94 99 361 13.0 0.184 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8051 2003.6 2.9 scans 94% 75 m/z 0.13% 0.861% 1399 0.8 789 730019 0.912% 28243692 27011550 29904728 1-1 20: 75 73 79 67 93 95 91 129 80 55 108 81 117 94 307 121 77 107 135 145 0.998 20.27 43.4 82 83 94 98 322 55.4 0.494 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1038 C16:0 21.1775 2034.9 4.2 scans 98% 117 m/z 0.023% 4.09% 1434 0.3 1429 4248892 134367233 133393124 1-0 20: 117 73 75 132 129 145 314 55 328 131 133 118 201 315 57 69 269 74 285 116 1.000 20.62 46.6 94 99 99 100 328 167.4 1.374 0.561 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6721 2076.5 2.8 scans 44% 305 m/z 2.0% 0.0287% 1481 1.1 146 47643 941284 915853 3-1 18: 305 217 318 147 191 306 319 265 218 307 367 432 433 320 192 219 291 266 0.980 21.75 -6.4 92 91 77 92 507 9.6 0.437 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1897 2120.8 3.3 scans 12% 396 m/z 8.2% 0.00462% 1530 1.4 53 12070 0.00605% 151755 144020 198381 1-0 7: 396 219 397 381 398 220 307 0.684 22.19 0.3 84 86 49 88 396 28.2 27.927 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2855 2129.1 >3 scans 65% TIC 0.98% 0.0748% 1540 1.6 224 101651 0.180% 2454794 2451874 5902249 0-1 0.989 22.33 -3.9 97 96 94 98 342 21.3 0.910 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4076 2139.8 2.9 scans 29% 204 m/z (156) 3.9% 0.00874% 1551 1.2 72 25090 286640 258344 2-4 4: 204 249 205 206 0.914 22.71 -26.7 86 90 83 90 518 0.0 0.000 -0.306 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1042 C18:2 23.1020 2200.5 8.7 scans 41% 337 m/z (73) 0.55% 0.466% 1617 1.4 447 181764 1.45% 15311999 15311999 47545895 0-0 6: 337 262 152 124 353 352 0.998 22.53 49.7 82 89 89 95 352 28.4 0.403 0.568 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 7.2 scans 92% 79 m/z 0.035% 8.60% 1628 0.2 1630 2837527 9.73% 282273786 282273786 319049351 0-0 20: 79 75 73 95 93 67 108 81 80 91 107 94 121 135 55 77 149 335 129 122 0.991 23.12 8.8 97 97 98 96 350 115.2 0.499 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1036 C18:0 23.4250 2230.0 2.5 scans 91% 341 m/z 0.082% 0.749% 1648 0.7 784 1206011 24581299 23863994 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 201 343 74 116 130 0.999 22.89 48.2 93 99 98 99 356 103.4 1.740 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7281 2257.7 2.9 scans 16% 163 m/z 1.1% 0.0219% 1677 1.1 121 90734 720616 629543 2-4 5: 163 331 164 165 88 0.626 23.72 0.8 90 92 63 94 331 29.8 6.054 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1563 2296.8 3.2 scans 39% 204 m/z 0.69% 0.0392% 1717 1.0 159 144011 0.0465% 1288628 1201266 1524748 0-10 18: 204 205 217 337 147 103 206 338 219 218 191 361 339 148 189 243 203 362 0.702 24.18 -2.3 90 91 72 91 581 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1018 myo-Inositol 25.2274 2398.5 3.2 scans 75% TIC 0.44% 0.175% 1819 1.2 340 226561 0.339% 5748101 5408815 11115902 2-0 0.955 25.21 1.7 96 94 92 100 470 23.3 0.468 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6367 2439.0 3.1 scans 55% 91 m/z 0.49% 0.0497% 1858 1.3 181 200593 1631091 1525415 2-3 16: 91 117 194 207 92 115 65 208 193 312 104 51 118 178 102 179 0.971 25.61 2.7 97 98 97 98 312 22.0 1.474 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3165 2506.6 2.9 scans 62% 204 m/z 0.45% 0.0693% 1923 1.2 231 219580 0.312% 2272997 2106260 10230565 3-0 13: 204 73 217 205 147 219 206 218 305 191 148 189 101 0.976 25.86 45.9 85 87 91 99 361 10.6 0.210 0.460 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5721 2533.0 2.8 scans 49% 512 m/z (218) 1.0% 0.0567% 1947 1.0 206 91703 1860533 1760970 1-1 17: 512 455 247 513 456 514 483 248 263 349 457 497 484 235 423 249 515 0.967 26.57 -0.1 94 96 89 96 512 64.4 9.828 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 2.9 scans 92% TIC 0.036% 1.23% 1983 0.7 958 2761541 1.33% 40657703 39210562 43611062 7-3 1.000 26.39 57.4 90 98 98 100 459 119.2 1.553 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1014 Sucrose 27.4328 2622.6 2.8 scans 46% 361 m/z (397) 0.43% 0.112% 2029 1.0 282 231856 3699695 3546163 1-4 12: 361 362 437 363 271 451 438 439 364 452 272 331 0.963 27.49 -6.1 95 96 92 98 437 52.2 3.439 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1008 Sucrose 27.4328 2622.6 2.8 scans 43% 361 m/z 0.43% 0.101% 2029 1.0 273 231714 3332011 3193738 1-4 12: 361 362 437 363 271 451 438 439 364 452 272 331 0.943 27.59 -16.9 96 95 87 97 437 52.2 3.647 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN LQC1-N1010 Sucrose 27.4371 2623.1 4.3 scans 29% TIC 0.55% 0.0556% 2029 1.5 225 180505 0.186% 1824413 1824413 6098991 0-0 0.502 27.58 -15.1 83 95 56 94 437 48.5 4.643 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7470 2766.3 3.1 scans 91% TIC 0.063% 0.764% 2154 0.9 725 1569720 25056027 24230872 1-1 1.000 28.19 62.4 88 97 97 100 487 92.8 1.640 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN SQUALENE-N1017 Squalene STD 29.0995 2805.9 3.1 scans 68% 69 m/z 0.26% 0.132% 2187 1.4 302 381877 4354491 4070800 1-4 18: 69 81 137 95 136 68 121 93 123 67 109 149 107 82 135 70 94 53 0.986 29.09 0.8 93 93 96 93 410 14.9 0.245 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1034 Nonacosane 29.5278 2854.1 3.5 scans 61% 57 m/z 0.43% 0.124% 2228 1.5 272 229649 4081280 3644438 2-13 19: 57 71 85 55 56 99 365 83 97 113 70 127 84 366 141 111 393 364 58 0.991 29.50 2.6 96 95 98 98 408 8.9 0.108 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8508 2890.4 3.7 scans 60% 57 m/z 0.52% 0.102% 2259 1.7 246 190144 3367556 3161896 6-3 18: 57 71 85 55 99 83 56 113 70 97 127 84 141 98 72 58 155 86 0.993 29.83 2.7 99 99 99 99 408 14.5 0.349 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4442 2960.4 3.6 scans 58% 193 m/z (204) 0.60% 0.197% 2315 1.2 331 166583 6470951 6150212 1-2 15: 193 119 105 163 120 176 91 194 171 121 247 325 106 158 248 0.988 30.36 10.3 85 86 87 91 529 12.6 0.144 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4874 2965.5 3.7 scans 57% 57 m/z (193) 0.36% 0.180% 2319 0.9 297 271339 0.211% 5902986 5284074 6918747 0-2 18: 57 71 85 56 393 55 99 392 83 70 97 394 113 365 84 141 58 86 0.987 30.46 2.9 96 97 98 99 393 69.7 5.495 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2428 3055.2 3.9 scans 84% 57 m/z 0.079% 0.813% 2391 0.8 675 1263852 0.832% 26676829 25124485 27281507 2-2 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 421 155 394 98 0.993 31.21 3.7 98 96 99 100 393 105.0 2.421 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1048 Hentriacontane 31.5448 3091.1 4.1 scans 78% TIC 0.087% 0.788% 2420 0.7 631 1140625 25855816 22803846 5-2 0.937 31.53 1.6 98 98 99 99 436 36.2 0.329 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8395 3126.1 3.6 scans 77% 502 m/z 0.10% 0.439% 2448 1.0 511 942685 14396149 14392294 0-1 15: 502 237 503 73 236 504 238 277 221 223 208 239 505 74 193 0.993 31.79 5.7 100 99 98 100 502 249.6 23.897 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9668 3141.2 3.9 scans 61% 329 m/z 0.61% 0.294% 2460 1.3 397 163674 9645988 9455452 0-2 14: 329 129 368 458 353 330 328 107 119 121 369 145 105 459 0.981 31.87 11.8 93 91 90 97 458 59.7 2.255 0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1446 3162.3 4.2 scans 73% TIC 0.089% 0.621% 2477 0.9 636 1119952 1.12% 20373299 20373299 36725105 0-0 0.993 32.11 4.1 97 94 98 99 421 142.8 5.048 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1046 Stigmasterol 33.0200 3266.3 3.7 scans 88% 83 m/z 0.098% 1.82% 2560 0.5 1032 1015074 59871360 57455366 1-1 19: 83 129 55 255 69 81 394 484 133 159 75 119 145 105 107 95 93 355 97 0.978 32.98 4.5 96 95 98 97 665 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1484 3281.5 3.8 scans 88% 57 m/z 0.036% 1.89% 2572 0.5 1027 2770047 62039174 58968171 1-1 20: 57 71 85 99 55 83 69 97 113 56 70 127 111 84 141 98 155 112 169 125 0.997 33.10 6.1 90 87 97 92 515 0.0 0.000 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN WTF2-N1034 b-Sitosterol 33.5061 3324.0 4.3 scans 55% 357 m/z 0.62% 0.304% 2606 0.9 402 159799 0.547% 9984122 9462170 17936279 2-2 10: 357 129 396 486 381 358 356 119 145 255 0.989 32.88 74.7 84 97 97 98 486 58.2 2.096 0.629 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6345 3339.3 3.9 scans 78% 386 m/z 0.27% 0.814% 2618 0.8 684 363425 1.18% 26706200 25661714 38692521 1-3 18: 386 296 129 55 281 69 387 119 95 257 81 107 105 83 93 145 159 371 0.998 33.58 6.0 92 89 93 98 505 3.6 0.000 0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7808 3356.6 4.0 scans 51% 218 m/z 0.12% 0.406% 2632 1.0 453 786390 0.549% 13336677 11532187 18001860 5-3 16: 218 203 190 219 189 95 135 107 109 119 121 175 105 136 94 137 0.898 34.08 -35.8 87 90 78 93 498 31.7 0.490 -0.301 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9165 3372.7 3.6 scans 6.8% 441 m/z 1.8% 0.0138% 2645 1.1 88 54852 452950 429781 1-1 5: 441 442 646 647 443 0.842 33.80 14.3 90 91 64 94 646 17.2 3.801 0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4636 3437.7 4.4 scans 5.5% 505 m/z 11% 0.00918% 2697 1.4 72 8736 0.0183% 301176 301176 600062 0-0 3: 505 506 475 0.755 34.59 -14.9 82 87 54 85 596 0.0 0.000 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6141 3455.6 4.0 scans 56% 596 m/z 0.18% 0.267% 2711 0.9 372 547205 8786350 8493798 1-1 18: 596 597 598 331 316 599 302 315 318 356 303 332 317 300 357 341 330 301 0.942 34.47 16.9 97 95 83 99 596 190.2 26.193 0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN EXBLK5S-N1006 Contamination 6.3593 1047.6 1.8 scans 80% 207 m/z 0.47% 0.0358% 26 1.0 201 213820 1249946 1173641 1-2 16: 207 73 295 208 209 296 191 297 279 193 189 177 192 210 298 247 0.996 6.63 -15.7 98 97 90 98 295 62.7 9.743 -0.266 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1192 Contamination 7.9418 1141.4 2.4 scans 96% 147 m/z 0.083% 0.452% 176 0.9 611 1219226 15784353 15226513 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 149 160 100 75 103 131 134 221 0.993 7.99 -2.8 99 98 97 99 235 124.7 4.160 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1026 Cadaverine NC 8.1186 1151.8 2.5 scans 78% TIC 0.55% 0.0446% 193 1.9 177 184152 1557110 1253719 1-4 0.981 7.74 22.6 96 94 92 99 216 42.5 5.753 0.383 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1188 Contamination 8.2964 1162.4 2.2 scans 64% 281 m/z 2.3% 0.0119% 210 1.1 107 42848 0.0121% 416824 384068 421859 1-1 11: 281 147 369 282 283 370 265 207 371 249 191 0.864 8.41 -7.0 96 95 77 98 369 30.7 8.282 -0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1186 Phosphate 8.4742 1172.9 2.1 scans 97% 241 m/z 0.072% 0.234% 227 1.1 477 1413072 8178400 8178400 0-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 137 119 134 181 257 121 1.000 8.56 -5.1 100 99 99 100 299 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1180 Benzoic acid 9.6527 1242.2 2.6 scans 31% 179 m/z 5.3% 0.00486% 339 1.3 62 18942 0.00546% 169702 153666 190360 3-2 8: 179 105 135 77 180 194 51 106 0.914 9.76 -6.3 95 96 87 96 194 9.6 2.405 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN VEN77_S6-N1002 Glycerol 10.0273 1264.1 6.1 scans 91% 299 m/z 0.012% 4.73% 375 0.2 1290 8419464 164924072 162901971 1-0 20: 299 300 314 283 207 315 211 191 193 316 135 74 225 115 284 134 208 189 181 137 0.984 10.09 -3.9 99 97 93 99 299 718.7 31.187 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1174 Proline 10.4250 1287.4 3.2 scans 34% 142 m/z 2.8% 0.00458% 412 0.7 52 35333 0.00468% 159781 156137 163165 2-0 3: 142 144 216 0.952 10.55 -7.0 82 86 67 86 142 46.6 80.774 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6523 1300.7 2.8 scans 92% TIC 1.0% 0.0800% 434 1.0 236 98823 0.122% 2792465 2495979 4253455 3-1 1.000 10.73 -4.9 87 80 70 99 209 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1168 Glyceric acid 10.9322 1317.6 2.4 scans 55% 189 m/z 5.1% 0.00692% 461 1.0 76 19871 241345 227204 2-1 11: 189 292 103 205 133 293 102 148 190 294 307 0.917 11.05 -7.3 88 87 81 93 292 23.4 9.445 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9943 1321.3 2.6 scans 82% 184 m/z 1.4% 0.0293% 466 1.0 152 68434 0.0326% 1024984 986042 1136579 0-3 20: 184 134 285 73 174 77 86 100 286 59 185 227 172 175 186 110 135 178 130 287 0.979 11.06 -4.2 98 97 94 99 285 45.2 8.886 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3667 1343.8 2.8 scans 18% 57 m/z (84) 0.34% 0.0944% 502 1.2 248 291874 0.0992% 3293253 3116921 3458547 3-1 19: 57 97 115 145 127 69 129 111 59 109 128 72 71 98 87 201 113 114 110 0.935 11.45 -4.7 95 98 94 98 145 73.7 8.819 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3972 1345.6 3.5 scans 95% TIC 0.022% 1.32% 505 0.5 888 4530033 1.35% 46217048 44863209 47066922 1-0 0.990 10.96 26.6 97 97 97 98 161 233.8 6.947 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1146 Malic acid 13.4448 1472.0 2.5 scans 76% 73 m/z (231) 0.45% 0.0696% 699 1.1 230 225421 2428443 2223065 2-1 20: 73 147 233 245 133 189 190 148 74 175 55 149 75 335 191 101 234 246 307 265 0.992 13.62 -10.8 93 95 94 95 350 0.0 0.000 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN TAB_REP6-N1026 Malic acid 13.4448 1472.0 2.6 scans 89% TIC 0.43% 0.0800% 699 1.1 249 234287 0.0878% 2791194 2554762 3061093 1-3 0.987 13.53 -5.6 97 96 94 97 335 28.7 1.328 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6612 1551.2 2.7 scans 95% TIC 0.050% 0.428% 815 1.1 580 2034126 0.490% 14929672 13826423 17083549 1-0 0.995 14.16 32.9 91 91 89 97 250 112.2 3.744 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1044 Dodecanol 14.7085 1554.3 >3 scans 88% TIC 0.44% 0.0671% 819 1.5 216 227606 0.523% 2342548 2166861 18234074 0-8 0.999 14.24 30.9 97 98 97 99 243 118.2 29.897 0.467 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1742 1654.0 3.2 scans 82% TIC 0.33% 0.0823% 959 1.0 219 308523 0.134% 2871123 2870224 4671828 1-0 0.936 16.28 -7.1 97 95 94 99 392 31.6 2.071 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5299 1678.7 2.8 scans 93% 55 m/z 0.30% 0.169% 993 1.0 337 340008 0.186% 5896998 5344867 6484776 4-4 20: 55 69 83 73 97 70 56 57 84 111 82 127 113 98 68 71 140 67 96 54 1.000 16.63 -6.7 99 98 99 98 210 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1010 Glycerol-P 17.4716 1746.3 3.1 scans 97% 357 m/z 0.030% 2.48% 1082 0.6 1303 3374432 86685134 86653050 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 129 256 218 328 1.000 16.97 36.8 96 99 98 99 445 208.3 2.560 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5410 1751.4 2.6 scans 47% 217 m/z 1.9% 0.0136% 1089 1.0 104 52739 0.154% 476961 476961 5369115 0-0 11: 217 218 450 219 305 175 191 232 257 148 451 0.922 17.63 -6.6 83 82 79 84 450 16.2 2.462 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4217 1816.4 4.4 scans 95% 73 m/z 0.030% 3.21% 1172 0.5 1222 3334053 112032588 109048284 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 66 58 133 90 121 77 117 0.993 17.91 38.2 96 99 98 99 327 117.9 0.932 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.4 scans 97% 68 m/z 0.046% 2.48% 1186 0.5 1207 2205183 2.78% 86492098 83943143 96922994 4-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 79 56 70 85 1.000 18.04 39.1 94 98 99 99 278 72.5 0.361 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1016 Hexadecene 18.6195 1831.5 3.0 scans 83% TIC 0.21% 0.281% 1191 1.7 442 481341 5.38% 9828363 9533323 187570398 0-2 0.992 18.10 39.1 84 84 92 97 280 65.3 2.186 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6385 1832.9 2.6 scans 50% 285 m/z 0.69% 0.0653% 1193 1.1 232 147240 0.452% 2277100 2160416 15758703 2-1 18: 285 117 75 132 129 145 286 118 131 287 300 201 74 116 130 241 61 257 0.995 18.73 -6.8 96 95 84 96 300 22.6 0.947 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8458 1848.7 2.8 scans 93% 81 m/z 0.31% 0.319% 1213 0.8 470 326062 0.323% 11150590 10147587 11261197 1-8 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 124 109 278 111 56 110 0.997 18.58 20.3 96 93 98 99 278 54.1 1.328 0.267 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1072 Fructose 18.9299 1855.1 2.7 scans 78% 73 m/z 0.57% 0.0722% 1221 1.0 229 176389 0.0869% 2518782 2357869 3029715 10-1 20: 73 103 307 217 147 308 277 218 133 309 104 189 74 205 364 117 89 172 148 191 0.991 19.03 -7.9 94 93 93 93 364 21.8 0.901 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1068 Galactopyranose 19.2003 1875.8 2.7 scans 46% 204 m/z 0.90% 0.0221% 1246 1.1 129 112387 0.0397% 771969 723936 1384116 4-0 9: 204 191 206 192 193 331 189 215 291 0.870 19.32 -8.7 89 90 76 89 435 9.5 0.540 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1064 Mannose 19.2509 1879.6 2.6 scans 84% 73 m/z 0.31% 0.140% 1251 1.0 332 322558 0.218% 4894705 4436671 7600436 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 229 133 161 207 148 189 157 218 0.992 19.45 -15.6 97 96 95 96 319 121.7 13.418 -0.204 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN BRA4_R~2-N1004 Galactose 19.4992 1898.6 2.8 scans 72% 319 m/z (299) 1.3% 0.0423% 1275 0.8 174 74558 1478113 1466952 2-0 13: 319 160 320 103 217 321 229 218 233 104 291 277 162 0.977 19.36 10.5 89 90 81 92 364 0.0 0.000 0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9043 1931.1 2.8 scans 87% TIC 0.20% 0.164% 1313 1.3 335 497349 0.186% 5746560 5332208 6484776 1-1 0.981 19.91 -0.6 95 93 93 99 361 16.0 0.227 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2673 1960.2 2.7 scans 74% 204 m/z 0.55% 0.0515% 1348 1.0 199 182773 1795538 1691046 3-2 13: 204 191 147 205 217 192 206 189 193 218 305 148 219 0.995 20.41 -11.8 94 93 93 93 217 45.6 5.224 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7849 2001.9 3.0 scans 94% TIC 0.12% 0.910% 1397 0.8 787 791524 0.969% 31747351 28869033 33783590 1-7 0.999 20.27 41.7 82 82 94 97 322 54.2 0.474 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1038 C16:0 21.1595 2033.4 4.1 scans 97% 313 m/z 0.022% 3.96% 1433 0.3 1403 4508453 138325972 135848312 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 315 201 57 69 269 285 74 1.000 20.62 45.1 94 99 99 100 328 164.6 1.378 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6509 2074.7 2.8 scans 55% 305 m/z 1.1% 0.0492% 1479 1.2 192 86994 1716065 1676976 3-1 18: 305 217 147 318 191 306 319 265 307 218 204 432 320 433 192 367 291 266 0.936 21.75 -8.2 95 95 82 95 507 13.9 0.524 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2643 2127.3 >4 scans 62% TIC 0.99% 0.0726% 1538 1.5 216 102244 0.165% 2532071 2532071 5752624 0-0 0.976 22.33 -5.7 96 95 93 96 342 20.6 0.909 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3875 2138.0 3.0 scans 19% 204 m/z 4.0% 0.00496% 1549 1.1 59 25493 173223 144710 2-5 4: 204 249 205 206 0.805 22.71 -28.5 84 89 71 88 518 0.0 0.000 -0.327 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1040 Phytol 22.6095 2157.4 3.6 scans 90% 143 m/z 0.069% 0.408% 1570 1.2 486 1474188 0.432% 14243766 13797353 15061415 4-1 20: 143 73 75 144 123 81 57 55 145 124 95 69 103 71 97 82 83 74 67 68 0.993 22.08 45.9 80 82 90 96 181 7.3 0.022 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1042 C18:2 23.0619 2196.9 >4 scans 53% 337 m/z (73) 0.20% 0.731% 1613 0.4 559 500540 5.82% 25497844 24254772 202910728 3-0 6: 337 75 338 234 135 110 0.930 22.53 46.1 82 92 85 94 352 35.5 0.404 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1924 2208.7 7.6 scans 91% 79 m/z 0.034% 8.63% 1626 0.2 1593 2923200 9.86% 301082748 295404918 343762849 0-1 20: 79 75 73 95 67 93 108 81 80 91 55 107 94 129 121 77 135 149 117 109 0.995 23.12 6.9 96 95 98 95 350 112.7 0.500 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1036 C18:0 23.4039 2228.1 2.6 scans 90% 341 m/z 0.088% 0.671% 1646 0.8 731 1159263 23396644 22507373 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 313 0.998 22.89 46.3 93 99 98 99 356 95.3 1.698 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7090 2255.9 2.7 scans 36% 163 m/z 0.41% 0.0558% 1675 0.9 207 247167 1945435 1804858 2-5 7: 163 331 164 165 332 88 90 0.857 23.72 -1.0 95 95 83 96 331 46.5 5.055 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1373 2295.1 3.3 scans 37% 204 m/z 0.57% 0.0538% 1716 0.8 185 176688 0.0668% 1876178 1680983 2328941 1-9 19: 204 205 217 147 337 103 206 338 219 218 191 361 339 148 203 101 189 362 291 0.817 24.18 -4.0 92 93 86 93 581 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1018 myo-Inositol 25.2063 2396.5 3.5 scans 71% TIC 0.56% 0.136% 1817 1.2 293 180260 0.235% 4762522 4762522 8193131 0-0 0.947 25.21 -0.3 97 95 92 100 470 19.2 0.428 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6177 2437.1 3.3 scans 47% 91 m/z 0.56% 0.0426% 1856 1.3 165 180012 0.0535% 1486012 1421465 1865245 4-4 14: 91 117 194 207 92 208 115 193 65 312 104 51 178 63 0.973 25.61 0.8 97 98 96 97 312 19.4 1.395 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2974 2504.6 3.0 scans 49% 204 m/z 0.37% 0.0980% 1921 1.0 245 272739 3416878 2444751 21-0 8: 204 217 205 219 206 218 305 293 0.972 25.86 43.9 84 86 91 99 361 11.8 0.000 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5520 2530.9 4.3 scans 53% TIC 0.37% 0.133% 1945 2.0 323 272848 0.491% 4646609 4553812 17118414 0-1 0.927 26.57 -2.2 98 98 91 99 512 103.0 10.142 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9235 2569.3 3.0 scans 83% 371 m/z 0.054% 0.757% 1980 0.7 740 1859120 0.760% 26406105 25818614 26496934 7-1 20: 371 372 73 147 57 129 205 203 239 459 373 71 55 103 116 75 101 145 117 85 0.999 26.39 54.7 90 97 98 100 459 93.7 1.608 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN LQC1-N1008 Sucrose 27.4085 2620.0 2.8 scans 62% 361 m/z 0.17% 0.255% 2026 1.0 422 579059 8895505 8561175 1-3 11: 361 362 437 363 271 451 438 364 439 452 272 0.966 27.59 -19.5 99 98 92 98 437 79.4 3.545 -0.182 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7206 2763.3 2.8 scans 86% 399 m/z 0.088% 0.468% 2151 0.8 599 1149497 16340658 15126351 1-1 20: 399 400 73 147 57 129 205 203 103 401 487 55 71 116 145 75 85 117 101 267 0.998 28.19 59.4 89 98 97 99 487 76.3 1.626 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN SQUALENE-N1017 Squalene STD 29.0763 2803.3 3.0 scans 71% TIC 0.23% 0.122% 2185 1.9 312 428101 0.124% 4271866 3959360 4323184 2-5 0.988 29.09 -1.8 94 93 96 94 410 15.6 0.251 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1034 Nonacosane 29.5045 2851.5 3.1 scans 63% 57 m/z 0.38% 0.109% 2226 1.1 280 262692 3824178 3625477 3-2 19: 57 71 85 55 99 365 56 69 83 97 113 70 127 366 84 393 141 364 155 0.987 29.50 -0.0 96 94 97 98 408 9.8 0.122 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8275 2887.8 3.2 scans 60% 57 m/z 0.45% 0.0993% 2256 1.2 259 225253 3462792 3093962 6-8 19: 57 71 85 55 99 69 83 56 70 113 97 127 84 141 98 155 86 58 126 0.990 29.83 0.1 99 99 100 99 408 15.2 0.345 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4189 2957.3 3.2 scans 53% 193 m/z (204) 0.71% 0.146% 2313 1.1 298 143535 5110917 4879880 1-1 15: 193 119 105 163 120 194 91 176 515 171 247 325 106 248 516 0.979 30.36 7.2 84 85 86 89 529 13.0 0.191 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4631 2962.6 3.3 scans 59% 57 m/z 0.32% 0.143% 2317 0.9 302 317031 0.170% 5017063 4720401 5926946 0-1 15: 57 71 56 85 393 99 83 70 392 394 113 141 84 365 58 0.988 30.46 -0.0 99 98 97 98 393 72.7 5.801 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2196 3052.4 3.4 scans 84% 57 m/z 0.078% 0.727% 2389 0.7 664 1299985 0.745% 25350209 23984205 25973968 2-3 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 394 155 98 0.996 31.21 0.9 97 94 98 99 393 103.8 2.442 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1048 Hentriacontane 31.5216 3088.3 3.3 scans 79% 57 m/z 0.088% 0.581% 2417 0.8 611 1152141 20274949 19525092 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 169 0.997 31.53 -1.2 99 98 99 98 436 35.6 0.339 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8162 3123.3 3.1 scans 77% 502 m/z 0.095% 0.406% 2445 1.0 525 1074269 14183568 13724347 1-1 15: 502 237 503 73 236 504 238 277 221 223 208 239 74 505 193 0.994 31.79 2.9 100 99 98 100 502 256.7 23.934 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9435 3138.4 3.6 scans 65% 329 m/z 0.55% 0.300% 2457 1.0 420 182873 10491781 10076275 2-1 15: 329 129 368 353 458 330 552 119 328 145 369 105 121 107 91 0.985 31.87 9.0 96 95 95 98 458 62.2 2.200 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1192 3159.3 3.4 scans 65% 57 m/z 0.096% 0.538% 2474 0.8 590 1055058 0.642% 18768041 17781903 22382936 2-0 20: 57 71 85 56 421 55 69 83 99 97 70 422 420 113 127 111 141 84 155 58 0.992 32.11 1.1 97 95 98 99 421 140.2 5.647 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3160 3182.7 3.3 scans 19% 57 m/z 0.37% 0.135% 2493 1.0 300 269186 0.146% 4722065 3966942 5090200 4-14 14: 57 71 85 99 56 113 70 127 84 603 141 112 86 58 0.873 32.33 -1.2 82 87 94 90 785 6.4 0.046 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1004 Campesterol 32.7832 3238.1 4.0 scans 45% 343 m/z (57) 0.51% 0.342% 2537 0.9 406 197287 0.402% 11950508 11496630 14015483 0-1 16: 343 129 382 472 367 383 344 121 107 342 119 145 105 473 159 255 0.954 32.21 68.0 81 95 83 96 472 64.7 2.544 0.573 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1046 Stigmasterol 32.9978 3263.6 3.4 scans 87% 83 m/z 0.099% 1.66% 2558 0.5 1001 1022855 57948341 56749183 1-0 20: 83 129 255 55 394 69 484 81 133 159 119 75 105 145 93 107 351 355 95 91 0.991 32.98 1.8 96 95 98 97 665 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1230 3278.5 3.7 scans 84% 57 m/z 0.044% 1.46% 2569 0.4 902 2305586 51068008 47759839 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 98 155 112 169 82 0.994 33.10 3.1 88 85 97 92 515 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN WTF2-N1034 b-Sitosterol 33.4765 3320.5 3.7 scans 55% 357 m/z 0.58% 0.271% 2603 1.0 406 174322 0.499% 9453168 9267490 17397329 1-2 14: 357 129 396 486 381 358 107 121 397 119 356 145 487 255 0.986 32.88 71.2 85 97 96 98 486 58.5 2.077 0.600 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.6060 3335.9 3.9 scans 73% 386 m/z 0.31% 0.649% 2615 0.7 619 327961 0.913% 22649360 21087017 31831185 1-3 18: 386 296 129 55 281 69 387 119 257 95 107 81 105 83 159 145 93 371 0.995 33.58 2.6 92 89 93 98 505 3.2 0.000 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7501 3353.0 4.0 scans 49% 218 m/z (57) 0.15% 0.382% 2629 0.9 426 639026 0.385% 13325657 12269995 13422789 3-3 12: 218 203 190 189 107 135 175 119 94 136 137 279 0.977 34.08 -39.4 85 90 91 96 498 27.2 0.408 -0.332 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8880 3369.4 3.5 scans 10% 441 m/z 1.1% 0.0216% 2642 1.0 112 89472 753724 734589 0-2 7: 441 442 646 308 443 647 329 0.885 33.80 11.0 91 91 67 94 646 20.9 3.510 0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5845 3452.1 4.0 scans 54% 596 m/z 0.18% 0.269% 2708 0.8 370 559228 9408017 9023232 2-1 18: 596 597 598 331 316 599 302 315 356 303 332 317 300 342 341 357 330 301 0.970 34.47 13.4 97 95 86 99 596 185.2 25.032 0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN EXBLK5S-N1006 Contamination 6.3604 1047.6 1.8 scans 81% 207 m/z 0.46% 0.0385% 26 1.1 205 220795 1310530 1284478 1-1 17: 207 73 295 208 209 296 191 297 74 279 193 189 84 177 210 298 247 0.996 6.63 -15.7 97 96 89 97 295 63.5 9.558 -0.265 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1192 Contamination 7.9398 1141.2 2.3 scans 97% 147 m/z 0.077% 0.471% 176 1.0 637 1334082 16013280 15735851 1-1 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 75 100 103 149 131 134 236 0.994 7.99 -3.0 99 98 97 99 235 131.1 4.240 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1026 Cadaverine NC 8.1197 1151.9 2.6 scans 76% TIC 0.55% 0.0479% 193 1.9 176 185237 1630455 1309216 1-4 0.978 7.74 22.7 96 94 92 99 216 41.3 5.526 0.384 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1188 Contamination 8.2986 1162.5 2.2 scans 70% 281 m/z 2.0% 0.0156% 210 1.3 118 50679 530624 497763 1-3 14: 281 147 369 282 283 370 265 207 249 371 284 191 193 266 0.869 8.41 -6.9 97 96 77 99 369 34.7 8.701 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1186 Phosphate 8.4722 1172.8 2.3 scans 93% 241 m/z 0.25% 0.0740% 227 1.2 253 410958 2518313 2515482 0-1 19: 241 242 133 211 163 73 256 243 195 135 98 59 89 137 119 134 257 121 212 0.996 8.56 -5.2 100 99 98 100 299 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1180 Benzoic acid 9.6527 1242.2 2.6 scans 34% 179 m/z 3.6% 0.00678% 339 1.0 72 28070 0.00730% 230459 203137 248122 1-4 7: 179 105 135 77 180 136 51 0.889 9.76 -6.3 96 97 88 97 194 11.3 2.456 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN VEN77_S6-N1002 Glycerol 10.0231 1263.9 6.0 scans 96% 300 m/z 0.012% 4.88% 374 0.7 1305 8408595 166158135 165001441 1-0 20: 300 301 283 315 316 195 209 285 121 194 227 313 213 167 267 136 270 286 138 109 0.972 10.09 -4.1 99 97 94 98 299 713.3 30.035 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1174 Proline 10.4272 1287.5 3.1 scans 33% 142 m/z 2.9% 0.00470% 413 0.7 52 34684 0.00482% 160015 156001 163828 2-0 3: 142 216 144 0.988 10.55 -6.9 83 87 68 87 142 45.8 78.324 -0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6534 1300.8 2.8 scans 92% TIC 1.0% 0.0967% 434 1.1 252 99720 0.148% 3287993 2902468 5030415 4-1 1.000 10.73 -4.8 83 75 63 99 209 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9932 1321.3 2.5 scans 66% 184 m/z 4.9% 0.00987% 466 1.0 87 20882 0.0111% 335781 323790 377281 4-0 13: 184 134 285 174 77 100 86 185 286 227 59 135 172 0.998 11.06 -4.2 90 89 76 91 285 24.3 7.737 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3678 1343.8 2.8 scans 21% 57 m/z (84) 0.34% 0.100% 502 1.1 251 294303 0.104% 3425316 2976076 3534886 4-2 18: 57 97 115 145 127 69 129 59 111 109 128 72 71 87 98 201 114 113 0.957 11.45 -4.7 95 98 96 98 145 74.7 8.866 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3931 1345.3 3.6 scans 94% TIC 0.029% 1.08% 504 0.5 772 3465282 1.10% 36794775 35459599 37388221 2-0 0.993 10.96 26.3 97 97 96 98 161 202.0 6.863 0.437 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN TAB_REP6-N1026 Malic acid 13.4459 1472.1 2.7 scans 88% TIC 0.53% 0.0751% 699 1.0 227 190635 0.114% 2555126 2363748 3874779 2-1 0.991 13.53 -5.5 95 93 91 95 335 26.2 1.335 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6633 1551.3 2.8 scans 96% TIC 0.048% 0.483% 815 1.0 590 2136032 0.551% 16429172 15677570 18728100 1-0 0.996 14.16 33.0 91 91 89 97 250 113.8 3.726 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1044 Dodecanol 14.7117 1554.6 >3 scans 89% TIC 0.39% 0.0748% 820 1.2 229 263343 0.601% 2543628 2390201 20427564 0-8 1.000 14.24 31.2 96 98 97 99 243 126.2 30.488 0.470 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1753 1654.0 3.0 scans 85% 290 m/z (156) 0.32% 0.0904% 959 1.8 228 312411 3075277 2876349 1-2 14: 290 291 292 392 158 144 131 393 115 100 293 172 160 130 0.970 16.28 -7.1 95 95 92 99 392 31.3 1.896 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5320 1678.8 2.8 scans 93% 55 m/z 0.27% 0.188% 993 1.1 349 370393 0.209% 6408338 5543778 7103762 9-3 20: 55 69 83 73 97 56 70 57 84 111 127 82 113 98 68 71 140 67 96 54 1.000 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1010 Glycerol-P 17.4737 1746.5 3.1 scans 96% 357 m/z 0.030% 2.63% 1082 0.5 1281 3336537 89473702 87586991 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 103 101 387 301 133 129 256 218 328 1.000 16.97 37.0 96 99 98 99 445 206.7 2.603 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5432 1751.5 2.6 scans 42% 217 m/z 1.9% 0.0132% 1089 1.1 102 51839 0.138% 449635 449635 4690522 0-0 10: 217 218 219 450 175 191 257 305 232 451 0.889 17.63 -6.5 83 82 78 84 450 15.1 2.174 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN TAB_REP6-N1048 Citric acid 18.2313 1801.9 2.6 scans 40% 273 m/z (217) 5.5% 0.00945% 1154 1.1 83 18574 0.00961% 321284 300384 326637 0-1 8: 273 347 274 363 375 156 465 275 0.949 18.24 -0.9 83 85 77 89 465 12.0 2.111 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4260 1816.7 4.2 scans 93% TIC 0.029% 3.51% 1173 0.5 1263 3459630 6.48% 119599208 112208760 220250610 1-3 0.981 17.91 38.5 95 99 98 99 327 119.7 0.898 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1012 Phytol 18.5680 1827.5 3.9 scans 97% 68 m/z 0.049% 2.66% 1186 0.4 1164 2077190 2.96% 90574526 88156512 100608303 3-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.4 94 98 99 99 278 71.0 0.372 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1016 Hexadecene 18.6217 1831.6 2.6 scans 89% 70 m/z 0.19% 0.272% 1191 1.2 447 522878 2.21% 9245434 8960011 75116335 0-1 20: 70 69 57 71 55 83 111 56 125 126 97 84 280 85 140 67 112 82 68 98 0.997 18.10 39.2 85 85 93 97 280 66.3 2.195 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6406 1833.1 2.7 scans 42% 285 m/z 0.69% 0.0748% 1193 1.1 236 148615 1.03% 2543445 2474025 35008970 1-1 19: 285 117 73 75 132 129 286 145 131 118 287 300 74 116 201 241 130 61 76 0.991 18.73 -6.6 96 95 84 96 300 23.1 0.956 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1002 Phytol 18.8min 18.8479 1848.9 2.6 scans 95% TIC 0.28% 0.327% 1213 1.0 496 365175 0.369% 11122678 10768499 12542049 1-1 0.996 18.84 0.6 97 96 99 97 278 57.2 1.328 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9321 1855.3 4.2 scans 64% TIC 1.4% 0.0286% 1221 1.1 135 70836 0.272% 972231 936407 9245087 0-1 0.982 18.40 40.3 90 95 93 96 364 12.2 0.811 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1018 Fructose 18.9331 1855.4 2.7 scans 56% 103 m/z 1.7% 0.0235% 1221 0.8 127 59348 799321 690453 8-1 13: 103 307 217 308 277 309 104 218 189 89 205 364 172 0.978 18.52 31.1 89 91 90 93 364 12.7 1.006 0.408 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0952 1867.7 3.1 scans 96% 81 m/z 0.15% 0.717% 1236 0.7 680 681713 24381455 24281598 0-1 20: 81 82 95 68 57 123 55 69 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.3 92 95 98 99 278 94.8 1.943 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN BRA4_R~2-N1004 Galactose 19.2530 1879.8 2.6 scans 58% 319 m/z 1.8% 0.0258% 1251 1.0 134 54575 0.0280% 879886 810290 951700 3-1 13: 319 205 160 320 321 206 229 89 207 189 161 291 157 0.986 19.36 -8.3 93 92 89 94 364 9.0 0.450 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1068 Galactopyranose 19.3288 1885.6 2.9 scans 52% 204 m/z 1.4% 0.0310% 1259 1.3 141 68705 1056602 1045392 0-3 10: 204 191 205 206 192 218 193 228 305 203 0.876 19.32 1.1 84 82 82 88 435 5.6 0.159 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.5434 1902.0 2.7 scans 11% 299 m/z 10% 0.00326% 1279 1.0 50 10187 110878 110878 0-0 2: 299 300 0.968 19.97 -34.6 81 87 56 87 314 0.0 0.000 -0.430 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9085 1931.4 2.9 scans 83% 204 m/z 0.22% 0.141% 1314 1.0 309 452163 4826265 4461065 2-3 17: 204 217 159 205 147 206 218 103 191 189 133 160 219 305 291 203 243 0.971 19.91 -0.3 95 93 93 99 361 14.3 0.212 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7861 2002.0 2.9 scans 95% TIC 0.14% 0.818% 1397 0.8 735 697400 0.874% 27817128 25644176 29706641 1-7 0.999 20.27 41.8 82 81 94 97 322 51.1 0.483 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1038 C16:0 21.1617 2033.6 3.7 scans 97% 117 m/z 0.021% 4.14% 1433 0.4 1484 4889137 140952116 134031111 1-1 20: 117 313 73 75 132 129 145 314 55 131 133 118 201 57 328 69 74 116 315 285 1.000 20.62 45.3 94 99 99 100 328 170.2 1.317 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6520 2074.8 2.8 scans 20% 305 m/z 6.5% 0.00933% 1479 1.0 76 15684 0.0293% 317244 263269 995886 11-4 14: 305 217 318 306 191 265 319 307 320 433 192 432 291 367 0.945 21.75 -8.1 83 84 67 86 507 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2675 2127.6 6.5 scans 63% TIC 1.0% 0.0758% 1538 1.3 218 102634 0.169% 2576955 2576881 5744190 0-1 0.987 22.33 -5.4 96 95 93 97 342 20.7 0.903 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3906 2138.3 3.0 scans 26% 204 m/z (156) 4.0% 0.00797% 1549 1.2 68 25709 0.0845% 270934 249716 2872095 5-4 4: 204 205 249 206 0.914 22.71 -28.2 85 90 82 91 518 0.0 0.000 -0.323 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1042 C18:2 23.0767 2198.2 8.6 scans 64% 337 m/z (73) 0.27% 0.569% 1615 5.0 511 378950 1.68% 19368795 19368795 57102010 0-0 3: 337 338 262 0.998 22.53 47.4 85 92 95 97 352 30.9 0.366 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1935 2208.8 7.5 scans 91% 79 m/z 0.035% 8.82% 1626 0.2 1574 2898691 9.89% 299955582 293345588 336154094 0-1 20: 79 75 73 67 95 93 108 81 80 91 55 107 129 94 121 117 149 135 77 109 0.995 23.12 7.0 96 95 98 95 350 114.2 0.527 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1036 C18:0 23.4060 2228.2 2.7 scans 90% 341 m/z 0.086% 0.751% 1646 0.8 737 1188112 25540646 23896409 2-4 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 0.998 22.89 46.4 93 98 98 99 356 95.8 1.689 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7111 2256.1 2.6 scans 42% 163 m/z (337) 0.39% 0.0694% 1675 1.0 224 263186 2361886 2209456 1-4 7: 163 331 164 165 332 88 90 0.943 23.72 -0.8 94 96 92 97 331 48.9 4.753 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1394 2295.3 3.2 scans 34% 204 m/z 0.56% 0.0490% 1716 0.9 175 181408 0.0632% 1665674 1572333 2148123 1-6 19: 204 217 205 337 147 103 206 218 219 338 361 191 339 305 148 101 203 243 220 0.647 24.18 -3.8 91 92 72 93 581 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1018 myo-Inositol 25.2095 2396.8 3.9 scans 66% TIC 0.63% 0.120% 1817 1.3 263 161089 0.247% 4086430 4085370 8395355 1-0 0.928 25.21 0.0 97 95 91 99 470 17.6 0.446 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6209 2437.4 3.3 scans 54% 91 m/z 0.52% 0.0530% 1857 1.4 172 195846 0.0645% 1803388 1574840 2192309 6-4 16: 91 117 194 207 92 115 208 193 65 312 104 118 51 102 178 63 0.990 25.61 1.1 98 98 97 97 312 20.9 1.476 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2995 2504.8 2.9 scans 60% 204 m/z 0.39% 0.0809% 1921 1.0 240 263615 2752982 2444448 11-0 9: 204 217 205 147 219 206 218 305 101 0.977 25.86 44.1 84 86 91 99 361 11.8 0.241 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5542 2531.1 4.1 scans 66% TIC 0.35% 0.152% 1945 1.6 326 292731 0.529% 5178595 5178595 17980335 0-0 0.980 26.57 -2.0 98 97 90 98 512 102.6 9.926 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9288 2569.8 2.8 scans 91% 371 m/z 0.039% 1.03% 1981 0.7 868 2574228 35082560 34203022 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 103 55 71 116 75 145 85 101 117 1.000 26.39 55.2 90 97 97 99 459 111.3 1.649 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1010 Sucrose 27.4138 2620.6 2.8 scans 17% 361 m/z (397) 1.8% 0.0235% 2027 1.0 122 55711 0.0270% 801716 691172 917711 1-16 10: 361 362 437 363 451 438 364 439 272 452 0.877 27.58 -17.6 91 93 80 94 437 24.6 4.022 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN LQC1-N1014 Sucrose 27.4138 2620.6 2.8 scans 14% 361 m/z 1.8% 0.0177% 2027 1.0 112 55750 0.0203% 602362 519306 689983 1-16 10: 361 362 437 363 451 438 364 439 272 452 0.759 27.49 -8.1 93 94 74 95 437 24.6 4.804 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7270 2764.0 2.8 scans 90% 399 m/z 0.067% 0.652% 2152 0.7 681 1534163 22175957 21585012 1-1 20: 399 400 73 147 129 57 205 203 487 103 55 401 71 116 145 75 267 117 101 85 0.999 28.19 60.1 89 97 97 100 487 88.4 1.685 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN SQUALENE-N1017 Squalene STD 29.0816 2803.9 3.0 scans 79% 69 m/z 0.13% 0.251% 2185 1.0 412 744494 8539845 8496915 0-1 19: 69 81 137 95 136 68 121 93 67 123 149 109 107 82 135 70 94 79 53 0.992 29.09 -1.2 96 95 98 95 410 20.9 0.259 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1034 Nonacosane 29.5077 2851.8 2.9 scans 67% 57 m/z 0.33% 0.126% 2226 1.2 303 304849 4288359 3994527 3-2 19: 57 71 85 55 99 365 69 56 83 97 113 70 127 393 84 141 366 364 155 0.992 29.50 0.3 96 94 98 98 408 9.8 0.105 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8328 2888.4 3.2 scans 62% 57 m/z 0.41% 0.115% 2257 1.2 269 249675 3912580 3479959 6-7 18: 57 71 85 55 99 83 56 113 70 97 84 127 141 98 86 155 140 72 0.986 29.83 0.7 99 99 99 99 408 17.2 0.409 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1038 Hexacosanol 30.1769 2928.6 3.2 scans 1.6% 439 m/z 13% 0.00112% 2289 1.3 26 7615 0.00255% 38184 38184 86673 0-0 2: 439 440 0.670 30.17 0.5 84 96 36 96 439 21.5 67.807 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4231 2957.9 3.2 scans 56% 193 m/z (204 57) 0.62% 0.173% 2313 1.0 323 165220 5907124 5687130 1-2 13: 193 119 105 163 120 194 176 171 515 247 325 106 248 0.977 30.36 7.8 82 84 88 91 529 12.8 0.156 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4662 2963.0 3.3 scans 59% 57 m/z (193) 0.33% 0.180% 2317 0.9 307 308553 0.220% 6149021 5359089 7477644 0-2 17: 57 71 85 56 393 99 83 97 392 394 70 113 84 141 58 365 86 0.982 30.46 0.4 97 98 98 99 393 73.9 5.796 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2238 3052.9 3.3 scans 87% 57 m/z 0.065% 0.869% 2389 0.8 731 1580676 0.907% 29544912 28936991 30828288 1-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 141 84 421 155 98 392 0.997 31.21 1.4 97 95 98 99 393 114.4 2.447 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1048 Hentriacontane 31.5279 3089.1 3.4 scans 84% 57 m/z 0.075% 0.723% 2418 0.7 666 1368429 24587617 24436041 0-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 169 0.998 31.53 -0.4 98 97 99 98 436 39.4 0.349 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8225 3124.1 3.0 scans 81% 502 m/z 0.068% 0.574% 2446 0.9 617 1508829 19528465 18542762 1-1 16: 502 237 503 73 236 504 238 57 277 221 223 208 239 74 505 193 0.998 31.79 3.7 100 99 98 100 502 302.1 23.962 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9499 3139.2 3.4 scans 67% 329 m/z 0.51% 0.313% 2458 1.0 432 199396 10665110 9932268 1-1 16: 329 129 368 458 353 95 119 330 121 107 328 145 105 369 91 159 0.990 31.87 9.8 96 95 95 98 458 64.7 2.245 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1256 3160.0 3.4 scans 72% 57 m/z 0.087% 0.618% 2475 0.7 618 1175432 0.746% 21032623 20718875 25356012 1-1 20: 57 71 85 56 421 55 69 83 99 97 70 422 113 420 127 111 141 84 155 58 0.994 32.11 1.8 97 95 98 99 421 146.7 5.628 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1004 Campesterol 32.7895 3238.9 3.9 scans 40% 343 m/z (57) 0.49% 0.359% 2538 0.9 417 209308 0.435% 12235352 11359809 14785342 0-1 16: 343 382 129 472 367 383 344 342 121 145 119 107 105 473 457 159 0.949 32.21 68.8 80 94 82 96 472 67.9 2.657 0.580 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1046 Stigmasterol 33.0020 3264.1 4.0 scans 86% TIC 0.10% 1.83% 2558 0.5 1007 1025000 62322766 61054607 1-1 0.988 32.98 2.3 97 95 98 97 665 6.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1294 3279.3 3.9 scans 87% 57 m/z 0.038% 1.82% 2570 0.5 968 2677238 61917810 59916014 1-2 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 141 84 155 98 112 169 125 0.994 33.10 3.9 89 86 97 92 515 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN WTF2-N1034 b-Sitosterol 33.4840 3321.4 3.7 scans 53% 357 m/z 0.69% 0.244% 2604 0.9 370 147926 8299165 7892953 1-2 12: 357 396 486 381 358 397 107 145 356 255 487 159 0.983 32.88 72.1 84 97 96 98 486 53.9 2.124 0.607 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6113 3336.5 3.4 scans 79% 386 m/z 0.25% 0.765% 2616 0.8 687 407091 1.07% 26031217 25295504 36368542 1-2 16: 386 296 129 55 281 69 387 119 257 95 107 105 145 121 159 93 0.996 33.58 3.2 92 89 93 97 505 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7596 3354.1 3.9 scans 57% 218 m/z (204) 0.11% 0.515% 2630 0.8 487 895731 0.682% 17529563 15365846 23180697 6-3 17: 218 203 190 219 189 95 135 119 107 121 109 175 93 105 94 136 137 0.985 34.08 -38.3 86 91 89 95 498 33.6 0.477 -0.322 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8933 3370.0 3.5 scans 18% 441 m/z 0.54% 0.0505% 2643 1.1 167 190331 1718708 1599394 1-1 12: 441 442 646 308 443 647 237 427 385 648 329 425 0.776 33.80 11.6 96 96 75 97 646 30.6 3.371 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N507_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5898 3452.7 3.9 scans 59% 596 m/z 0.14% 0.342% 2709 0.9 417 710949 11643232 11034689 1-1 18: 596 597 598 331 316 599 302 315 356 318 332 303 317 300 342 341 301 357 0.972 34.47 14.0 97 94 86 99 596 207.4 24.775 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN EXBLK5S-N1006 Contamination 6.3720 1048.3 1.9 scans 66% 207 m/z 1.2% 0.0128% 27 1.2 133 78894 0.0156% 484289 483267 586329 1-0 12: 207 295 208 209 296 191 71 297 84 279 189 193 0.937 6.63 -15.0 95 94 82 95 295 40.6 9.312 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8093 1133.5 5.1 scans 70% TIC 2.1% 0.0148% 164 1.6 103 45832 0.431% 559274 559274 16199209 0-0 0.931 7.79 0.9 81 77 79 89 219 8.5 0.678 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1192 Contamination 7.9745 1143.3 2.5 scans 96% 73 m/z 0.065% 0.535% 179 0.8 725 1529900 20134490 19038168 3-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 149 160 103 100 131 134 236 1.000 7.99 -0.9 99 98 98 99 235 145.7 4.042 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1026 Cadaverine NC 8.1292 1152.5 2.3 scans 85% 174 m/z 0.70% 0.0239% 194 1.0 164 142254 901357 862622 1-1 20: 174 73 175 142 216 86 100 59 176 130 160 217 74 131 143 158 218 72 87 101 0.993 7.74 23.3 96 95 93 99 216 38.9 5.632 0.393 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1188 Contamination 8.3112 1163.3 2.3 scans 70% 281 m/z 3.8% 0.00791% 211 1.0 93 26215 297334 286701 1-1 12: 281 147 369 282 283 370 148 265 207 371 249 191 0.887 8.41 -6.1 94 93 69 96 369 25.6 7.607 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1186 Phosphate 8.4985 1174.4 2.3 scans 95% 241 m/z 0.18% 0.0865% 229 1.2 314 531227 3252523 3157230 1-1 20: 241 242 133 211 73 163 243 256 195 135 98 59 89 119 137 147 181 121 257 134 1.000 8.56 -3.6 100 99 99 100 299 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1180 Benzoic acid 9.6728 1243.4 2.6 scans 65% 179 m/z 4.7% 0.00563% 341 1.0 70 21050 0.00624% 211866 168182 234531 13-0 8: 179 105 135 77 180 136 51 194 0.991 9.76 -5.1 96 97 90 97 194 11.3 2.555 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN VEN77_S6-N1002 Glycerol 10.0484 1265.4 5.9 scans 91% 299 m/z 0.012% 3.71% 377 0.4 1326 7719119 139602837 139576901 1-0 20: 299 73 300 314 301 133 207 283 315 211 193 191 74 135 148 75 131 59 225 149 0.969 10.09 -2.6 99 97 93 99 299 740.9 31.373 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6703 1301.8 2.7 scans 62% 199 m/z (69) 1.0% 0.0408% 436 0.9 189 94013 1536794 1425641 2-1 20: 199 75 73 117 145 132 129 200 131 67 74 61 81 76 118 201 79 155 72 68 0.948 10.73 -3.8 93 96 88 97 209 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0122 1322.4 2.5 scans 74% 184 m/z 3.7% 0.0109% 468 1.1 106 26669 0.0110% 410170 395031 413437 1-1 15: 184 134 285 174 77 86 185 100 59 286 227 130 135 172 186 0.989 11.06 -3.1 93 93 80 95 285 29.1 7.539 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3826 1344.7 2.8 scans 17% 57 m/z 0.34% 0.0778% 503 1.3 246 285969 0.0895% 2927144 2513598 3363873 4-0 18: 57 97 115 145 127 129 69 59 109 111 72 71 98 87 201 114 113 110 0.978 11.45 -3.8 93 94 88 94 145 71.5 8.411 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4289 1347.5 3.7 scans 96% TIC 0.015% 2.11% 508 0.3 1170 6583107 79342227 75269709 2-2 0.994 10.96 28.5 96 97 97 99 161 308.0 6.935 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN TAB_REP6-N1026 Malic acid 13.4544 1472.6 2.8 scans 85% TIC 0.76% 0.0440% 700 0.8 194 131290 0.0591% 1656151 1483438 2221284 1-2 0.987 13.53 -5.0 94 94 91 94 335 21.1 1.180 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1146 Malic acid 13.4554 1472.7 2.5 scans 79% 73 m/z 0.80% 0.0344% 700 1.0 187 123648 1295215 1252463 1-1 19: 73 147 233 245 190 189 133 148 74 175 191 149 335 55 75 101 234 265 217 0.972 13.62 -10.1 95 94 90 94 350 0.0 0.000 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2667 1525.0 2.6 scans 51% 263 m/z 1.0% 0.0165% 777 1.1 126 91251 623085 563842 1-1 14: 263 264 278 447 265 239 342 175 448 279 449 207 133 128 0.997 14.33 -4.0 83 77 82 96 278 31.6 6.269 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6644 1551.4 2.6 scans 43% 174 m/z 7.7% 0.00187% 815 0.9 44 12921 70370 70370 0-0 4: 174 175 86 176 1.000 14.16 33.1 81 84 70 87 250 7.1 2.669 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1044 Dodecanol 14.7191 1555.0 2.6 scans 64% 243 m/z 2.1% 0.0115% 820 1.0 104 46128 0.0119% 434217 410111 447264 0-1 13: 243 244 103 89 97 83 245 101 61 111 76 59 74 0.933 14.24 31.6 93 95 87 97 243 57.3 30.055 0.477 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1838 1654.6 2.8 scans 61% 290 m/z 1.3% 0.0184% 960 1.8 117 73656 691864 626971 1-4 9: 290 291 292 392 158 144 131 115 393 0.868 16.28 -6.5 93 90 85 98 392 16.9 2.076 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 3.1 scans 60% TIC 4.0% 0.00493% 993 1.1 89 24765 0.0409% 185330 185330 1537233 0-0 1.000 16.63 -6.5 84 84 87 84 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1010 Glycerol-P 17.4727 1746.4 2.9 scans 97% 357 m/z 0.040% 1.65% 1082 0.6 1214 2459554 62310120 60655742 1-1 20: 357 299 73 358 147 315 300 370 211 359 103 101 301 133 129 256 218 75 328 131 1.000 16.97 36.9 96 99 99 99 445 187.4 2.383 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN TAB_REP6-N1048 Citric acid 18.2324 1801.9 2.9 scans 68% 273 m/z 1.9% 0.0214% 1154 1.0 136 52418 805460 781667 3-0 18: 273 147 363 274 347 375 211 465 275 148 149 376 364 221 183 348 305 257 0.950 18.24 -0.9 96 95 90 97 465 18.3 1.813 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4218 1816.4 4.1 scans 94% 73 m/z (310) 0.031% 2.77% 1172 0.5 1284 3215063 104169647 101436620 1-1 20: 73 76 135 120 119 132 149 136 62 74 78 118 58 133 213 90 121 77 117 75 1.000 17.91 38.2 93 99 98 99 327 124.3 0.937 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1012 Phytol 18.5544 1826.5 2.9 scans 98% 68 m/z 0.075% 1.11% 1185 0.6 996 1329058 1.23% 42049327 42049327 46229760 0-0 20: 68 95 82 57 55 69 123 81 83 67 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.4 95 98 99 99 278 55.9 0.316 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1016 Hexadecene 18.6185 1831.4 2.6 scans 86% 70 m/z (285) 0.32% 0.142% 1191 1.1 366 305449 1.00% 5366618 4697501 37585171 0-2 20: 70 69 57 55 71 83 56 111 125 97 126 84 280 85 140 67 112 68 82 98 0.999 18.10 39.0 84 86 92 97 280 51.9 2.014 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6459 1833.5 2.6 scans 63% 285 m/z (70) 1.8% 0.0253% 1194 0.9 155 54579 953821 952186 1-0 13: 285 117 132 286 145 118 287 201 116 300 241 130 61 0.953 18.73 -6.2 93 95 83 95 300 14.7 0.902 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1002 Phytol 18.8min 18.8490 1849.0 2.7 scans 93% 81 m/z 0.47% 0.174% 1213 1.0 411 212016 6541274 6191228 1-4 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 97 124 109 53 56 110 111 0.997 18.84 0.7 98 97 99 98 278 45.0 1.196 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0931 1867.6 2.9 scans 96% TIC 0.23% 0.378% 1236 0.8 584 428309 14216712 13793570 1-1 0.999 18.58 39.2 93 95 98 99 278 76.2 1.706 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9138 1931.8 2.7 scans 63% 204 m/z 0.83% 0.0281% 1314 1.2 166 119462 1057616 992586 3-1 13: 204 205 217 159 206 218 219 191 189 160 305 203 243 0.932 19.91 0.1 94 93 91 94 361 6.3 0.147 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7840 2001.8 2.9 scans 94% TIC 0.28% 0.337% 1397 1.0 554 348386 0.372% 12685282 12082709 13981683 1-6 0.999 20.27 41.6 84 84 95 98 322 36.0 0.424 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1038 C16:0 21.1512 2032.7 2.9 scans 98% 313 m/z 0.030% 2.11% 1432 0.5 1324 3240759 79437318 79386399 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 285 1.000 20.62 44.4 94 99 99 100 328 147.4 1.240 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1042 myo-Inositol 21.6647 2075.9 2.7 scans 23% 305 m/z 13% 0.00298% 1481 1.0 51 7215 112320 112320 0-0 7: 305 318 191 306 265 319 218 0.962 21.77 -9.2 85 87 64 87 318 17.3 11.449 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9624 2100.9 2.7 scans 59% 327 m/z (255) 1.0% 0.0531% 1509 1.0 221 91532 1996865 1951674 1-1 13: 327 117 132 129 145 328 342 118 329 61 116 283 299 0.938 22.33 -32.1 92 97 91 97 342 27.6 1.561 -0.368 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1040 Phytol 22.6211 2158.4 3.8 scans 90% TIC 0.10% 0.249% 1571 1.3 427 957681 0.366% 9393906 9393906 13756172 0-0 0.996 22.08 46.9 80 83 90 95 181 0.0 0.000 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1746 2207.1 5.7 scans 95% 75 m/z 0.043% 5.14% 1624 0.3 1536 2323268 5.74% 193285289 184966431 215738879 0-9 20: 75 79 73 95 67 93 108 129 80 81 91 107 55 117 94 121 149 135 77 122 0.997 23.12 5.3 98 97 99 97 350 111.1 0.524 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1036 C18:0 23.4124 2228.8 3.0 scans 92% 341 m/z 0.11% 0.566% 1647 0.8 696 837152 21305910 20560001 2-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 69 118 131 201 343 74 297 83 0.999 22.89 47.0 93 99 99 99 356 87.0 1.562 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1010 Epitestosterone 24.0058 2283.1 3.3 scans 94% 143 m/z 0.055% 1.22% 1703 0.7 968 1811331 4.20% 45930960 42965528 157857716 0-1 20: 143 73 135 75 144 80 93 107 157 81 121 187 145 105 255 134 159 119 95 133 0.999 23.96 4.2 91 88 95 95 360 62.2 0.413 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1012 Androsterone 24.23min 24.3088 2311.2 >7 scans 94% 73 m/z 0.011% 5.52% 1732 0.5 1464 8388096 7.91% 207696528 204156189 297298699 1-0 20: 73 144 75 81 145 69 95 272 109 155 55 74 115 170 362 67 169 130 107 79 1.000 24.23 7.4 96 95 96 97 362 119.6 0.669 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1014 Androsterone 24.3min 24.3499 2315.1 10.7 scans 95% 143 m/z 0.011% 3.18% 1736 1.0 1530 8511820 8.61% 119785893 119785893 323608319 0-0 20: 143 73 144 75 156 81 145 95 69 109 272 155 55 219 93 115 170 67 74 169 0.999 24.27 7.2 95 93 96 96 362 120.6 0.624 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1016 Androsterone 24.5min 24.5508 2334.2 2.9 scans 90% 143 m/z 0.065% 0.487% 1755 0.7 640 1529441 18324389 16302747 1-2 20: 143 73 144 75 300 180 284 93 79 145 91 315 55 81 67 107 179 105 119 77 0.994 24.52 3.2 84 77 80 99 362 34.2 0.000 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1018 myo-Inositol 25.2179 2397.6 3.4 scans 71% TIC 0.66% 0.0945% 1818 1.2 277 149922 0.197% 3554824 3370234 7404279 2-0 0.961 25.21 0.8 98 97 95 99 470 17.7 0.407 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6251 2437.8 3.1 scans 63% 91 m/z 0.39% 0.0542% 1857 1.1 211 252799 2039854 1866705 1-4 18: 91 117 194 207 92 208 115 193 65 312 104 118 51 128 78 195 116 178 0.978 25.61 1.5 98 97 98 98 312 24.5 1.342 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1024 Steroid 26.19min 2494 26.2312 2497.8 3.2 scans 93% 143 m/z 0.022% 1.95% 1915 0.5 1231 4357348 73345643 66742150 1-1 20: 143 73 192 177 75 81 144 191 156 169 69 155 95 272 170 109 123 122 145 149 1.000 26.19 3.7 92 88 95 99 347 47.6 0.150 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3007 2504.9 5.2 scans 29% TIC 1.1% 0.00803% 1921 1.2 149 87831 0.672% 301893 301893 25257235 0-0 0.931 25.86 44.2 85 91 90 97 361 7.6 0.000 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5627 2532.0 2.8 scans 27% 512 m/z 1.4% 0.0310% 1946 1.0 169 69118 1166012 1089170 1-1 17: 512 455 247 513 456 514 248 483 263 457 349 497 235 484 423 249 264 0.899 26.57 -1.1 94 94 77 95 512 59.1 12.169 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9362 2570.6 2.8 scans 86% 371 m/z 0.053% 0.740% 1982 0.7 820 1880961 27847891 25868185 1-1 20: 371 372 73 147 57 129 205 203 459 239 373 55 71 103 116 75 145 101 117 85 0.999 26.39 56.0 90 98 97 100 459 102.4 1.563 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1010 Sucrose 27.4244 2621.7 3.0 scans 15% 361 m/z (143) 1.9% 0.0216% 2028 1.0 136 50991 0.0293% 813613 769442 1101245 1-7 12: 361 362 437 363 271 451 438 439 364 272 452 273 0.823 27.58 -16.5 92 95 81 94 437 25.6 3.553 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN LQC1-N1008 Sucrose 27.4244 2621.7 3.0 scans 14% 361 m/z 1.9% 0.0177% 2028 1.0 131 51595 0.0239% 665293 629174 898286 1-7 12: 361 362 437 363 271 451 438 439 364 272 452 273 0.364 27.59 -17.8 90 93 72 94 437 25.3 3.746 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7302 2764.4 2.7 scans 92% TIC 0.079% 0.487% 2152 0.9 696 1258727 18314134 17986784 0-1 0.999 28.19 60.5 90 98 98 100 487 84.9 1.489 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN SQUALENE-N1017 Squalene STD 29.0858 2804.4 7.2 scans 39% TIC 1.3% 0.00955% 2186 1.6 136 74356 0.0177% 359177 359177 665258 0-0 0.965 29.09 -0.7 81 81 89 80 410 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1034 Nonacosane 29.5225 2853.5 2.8 scans 90% 57 m/z 0.094% 0.424% 2227 0.8 615 1060702 15947008 15947008 0-0 20: 57 71 85 55 99 69 56 83 365 97 113 70 127 111 141 84 155 393 366 58 0.999 29.50 2.0 94 90 97 99 408 21.3 0.121 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8423 2889.5 3.0 scans 86% 57 m/z 0.13% 0.283% 2258 0.9 499 726233 10669282 10340218 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 72 0.998 29.83 1.8 97 94 99 100 408 30.0 0.363 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4242 2958.0 >4 scans 72% TIC 0.50% 0.133% 2313 0.7 326 197641 0.655% 5033715 4814025 24618287 6-0 0.888 30.36 7.9 89 89 89 90 529 11.9 0.133 0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4842 2965.1 2.9 scans 91% 57 m/z 0.064% 0.646% 2319 0.6 747 1562188 24291320 24272311 1-0 20: 57 71 85 56 393 55 69 83 99 97 70 113 392 394 127 111 141 84 155 58 0.999 30.46 2.5 98 96 99 100 393 169.8 5.175 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2249 3053.1 2.9 scans 87% 57 m/z 0.072% 0.590% 2389 0.8 722 1386853 22205267 20794626 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 155 98 394 421 0.998 31.21 1.6 97 95 99 100 393 107.4 2.216 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1048 Hentriacontane 31.5322 3089.6 3.2 scans 90% TIC 0.056% 0.898% 2418 0.6 811 1785012 33786453 28776542 9-3 1.000 31.53 0.1 99 99 100 99 436 45.7 0.318 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8194 3123.7 2.9 scans 71% 502 m/z 0.18% 0.194% 2446 0.9 412 536548 7305697 7064134 1-1 13: 502 237 503 236 238 504 277 221 208 505 239 223 235 0.986 31.79 3.3 99 98 97 100 502 195.3 22.486 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9488 3139.1 3.0 scans 79% 329 m/z 0.34% 0.366% 2458 0.9 573 286370 13759663 13012342 1-1 16: 329 129 368 353 458 95 107 121 145 81 330 105 119 328 369 93 0.991 31.87 9.7 96 95 95 98 458 81.2 2.006 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1151 3158.8 3.0 scans 52% 57 m/z (487) 0.20% 0.203% 2474 1.1 412 489161 0.257% 7637927 7295221 9659389 4-1 18: 57 71 85 56 421 83 99 97 70 420 113 422 127 111 84 141 58 125 0.989 32.11 0.6 97 98 99 99 421 87.4 4.506 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1004 Campesterol 32.7832 3238.2 3.7 scans 47% 129 m/z 0.61% 0.180% 2537 0.9 386 161822 0.204% 6772675 6763254 7667375 0-1 19: 129 343 382 472 367 95 119 107 121 344 383 75 145 342 105 81 91 159 255 0.942 32.21 68.1 83 95 82 96 472 59.4 2.370 0.573 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1046 Stigmasterol 33.0000 3263.9 3.4 scans 89% TIC 0.092% 1.50% 2558 0.5 1068 1086851 56602713 53861808 1-0 0.996 32.98 2.1 96 94 97 97 665 9.6 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0957 3275.3 3.3 scans 48% 57 m/z 0.18% 0.208% 2567 1.3 431 541527 0.596% 7849834 7613666 22400762 2-1 20: 57 71 55 99 83 69 56 70 97 127 111 84 141 98 112 126 58 82 72 125 0.969 33.10 -0.1 80 81 95 87 515 6.3 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.4009 3311.5 3.9 scans 23% 217 m/z 1.2% 0.0400% 2596 1.1 240 80803 0.298% 1505283 1505283 11200381 0-0 20: 217 437 199 95 529 361 73 203 273 438 113 530 169 161 362 218 103 439 71 200 0.933 33.38 2.6 84 85 60 85 529 44.5 3.447 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN WTF2-N1034 b-Sitosterol 33.4745 3320.3 3.4 scans 51% 357 m/z 0.45% 0.315% 2603 0.9 485 219305 11857109 11419683 1-2 9: 357 396 486 381 358 397 356 255 487 0.946 32.88 71.0 85 98 96 99 486 67.8 1.956 0.598 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8975 3370.5 3.6 scans 3.3% 441 m/z 2.2% 0.00840% 2643 1.2 73 45368 0.00924% 315858 275735 347287 1-5 6: 441 442 308 646 647 443 0.961 33.80 12.1 90 91 55 92 646 16.5 5.108 0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5867 3452.3 >21 scans 21% TIC 0.61% 0.0262% 2709 1.0 254 163034 0.166% 988191 988191 6239138 0-0 0.742 34.47 13.6 94 92 70 99 596 107.7 18.037 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN EXBLK5S-N1006 Contamination 6.3688 1048.1 3.0 scans 61% TIC 0.85% 0.0306% 27 1.5 163 116856 0.0736% 727749 727749 1749766 0-0 0.781 6.63 -15.2 95 95 84 95 295 46.0 8.014 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8387 1135.3 >5 scans 56% TIC 3.7% 0.00972% 167 1.0 74 26325 0.444% 231286 231286 10555652 0-0 0.933 7.79 2.7 80 77 80 89 219 0.0 0.000 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1192 Contamination 8.0008 1144.9 2.4 scans 97% 73 m/z 0.082% 0.649% 182 0.7 657 1213868 15439525 15274846 3-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 103 100 149 131 134 236 0.998 7.99 0.7 98 97 97 98 235 133.5 4.124 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1026 Cadaverine NC 8.1239 1152.2 2.5 scans 78% TIC 1.7% 0.0146% 194 0.7 104 55847 0.0426% 348730 345233 1012772 1-0 0.991 7.74 23.0 95 95 90 96 216 24.7 5.660 0.388 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1188 Contamination 8.3059 1162.9 2.2 scans 74% 281 m/z 3.5% 0.0126% 211 1.1 101 28111 300046 296583 1-0 12: 281 147 369 282 283 370 265 207 249 148 371 149 0.936 8.41 -6.5 92 91 66 94 369 27.1 7.171 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1186 Phosphate 8.5363 1176.6 2.2 scans 98% 241 m/z 0.019% 1.37% 233 0.7 1009 5000713 32677715 32333042 0-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 75 137 134 257 121 1.000 8.56 -1.4 100 99 99 100 299 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1180 Benzoic acid 9.6843 1244.1 3.3 scans 55% 179 m/z 8.8% 0.00595% 342 0.7 50 11363 0.00627% 141679 139944 149063 0-1 4: 179 105 135 180 0.917 9.76 -4.4 92 93 83 93 194 6.7 1.777 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN VEN77_S6-N1002 Glycerol 10.0494 1265.4 4.8 scans 97% 299 m/z 0.016% 3.67% 377 0.4 1183 6219091 87266878 86435012 0-1 20: 299 73 300 314 301 133 147 283 207 315 211 205 193 191 135 316 302 74 103 117 1.000 10.09 -2.6 98 97 92 99 299 680.0 33.179 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6723 1301.9 3.1 scans 64% 199 m/z (69) 1.3% 0.0663% 436 0.7 186 75909 0.0684% 1578437 1498507 1626141 8-1 20: 199 75 73 117 145 132 129 200 131 67 76 81 74 79 118 61 201 72 68 133 0.956 10.73 -3.7 94 95 89 98 209 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1168 Glyceric acid 10.9511 1318.7 2.3 scans 63% 189 m/z 7.4% 0.00739% 462 1.0 73 13492 175865 175865 1-0 8: 189 292 103 205 102 293 148 190 0.989 11.05 -6.2 85 84 76 89 292 21.3 8.463 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0037 1321.9 2.6 scans 70% 184 m/z 3.0% 0.0197% 467 0.9 113 32756 0.0200% 469999 469999 475480 0-0 18: 184 134 285 174 77 100 86 185 59 172 227 286 135 130 186 175 110 287 0.972 11.06 -3.6 96 96 89 97 285 33.4 8.712 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3773 1344.4 4.2 scans 71% 57 m/z 0.55% 0.110% 503 0.7 215 179392 0.121% 2635396 2605006 2876653 3-0 20: 57 97 115 145 127 69 129 55 56 59 109 111 128 58 72 83 87 98 146 201 0.958 11.45 -4.1 97 97 95 99 145 62.8 8.503 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1024 Contamination 10.96min 11.3920 1345.3 2.8 scans 38% 84 m/z 0.77% 0.0385% 504 1.1 160 128405 0.0484% 916128 916128 1150661 0-0 18: 84 133 161 162 119 92 82 118 51 130 134 78 63 159 120 52 91 105 0.937 10.96 26.3 91 91 92 97 161 41.5 6.746 0.436 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1146 Malic acid 13.4585 1472.9 2.5 scans 96% 73 m/z 0.19% 0.222% 701 1.0 385 514233 5298508 5295458 1-0 20: 73 147 233 245 133 189 190 148 75 74 175 191 335 149 101 55 234 217 59 131 1.000 13.62 -9.9 99 98 97 98 350 7.1 0.034 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9520 1504.2 2.8 scans 31% 156 m/z 3.4% 0.00780% 748 1.1 67 28757 185634 185634 0-0 6: 156 157 230 258 232 158 0.981 14.11 -10.5 88 87 84 92 273 0.0 0.000 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2666 1525.0 2.7 scans 56% 263 m/z 0.88% 0.0332% 777 1.0 143 112671 789553 782293 0-1 15: 263 264 278 265 447 279 342 175 207 128 448 343 247 119 335 0.966 14.33 -4.0 88 84 85 96 278 36.3 6.408 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5644 1544.8 2.5 scans 65% 73 m/z (71) 2.8% 0.0209% 806 1.0 113 35660 498714 446827 7-1 19: 73 292 147 220 205 293 217 103 74 294 148 133 221 319 149 102 130 189 131 0.996 14.62 -3.8 87 88 84 89 409 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5644 1544.8 2.5 scans 67% 73 m/z 2.4% 0.0204% 806 1.0 114 41009 485167 434690 7-1 19: 73 292 147 220 205 293 217 103 74 294 148 133 221 319 149 102 130 189 131 0.996 14.69 -8.4 88 87 85 89 409 0.0 0.000 -0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1044 Dodecanol 14.7180 1555.0 2.6 scans 67% 243 m/z 1.6% 0.0235% 820 0.9 122 59339 559021 519546 2-1 17: 243 75 244 103 83 89 97 245 101 61 76 59 111 115 91 74 67 0.937 14.24 31.6 93 96 89 97 243 66.4 29.495 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1858 1654.8 3.2 scans 72% TIC 1.3% 0.0220% 960 1.6 124 72284 0.0796% 524011 524011 1892410 0-0 0.950 16.28 -6.3 91 87 79 98 392 17.2 1.944 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5320 1678.8 2.8 scans 61% TIC 3.9% 0.00890% 993 0.9 95 25048 0.0627% 211623 211623 1490629 0-0 0.983 16.63 -6.6 88 88 88 88 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1010 Glycerol-P 17.4611 1745.6 2.5 scans 96% 357 m/z 0.074% 1.20% 1081 0.9 908 1336851 28718588 27904743 1-1 20: 357 299 73 358 147 315 300 445 370 211 103 101 359 301 133 129 256 387 218 131 0.996 16.97 36.1 96 99 99 99 445 140.8 2.403 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1086 Fructofuranose 18.1629 1796.8 3.0 scans 82% 217 m/z 0.81% 0.0696% 1148 1.7 196 122475 0.0927% 1656682 1539952 2203849 1-0 19: 217 73 437 147 218 219 439 74 257 103 230 191 129 215 148 189 205 149 291 0.995 18.13 2.2 89 87 88 91 437 47.0 5.769 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4165 1816.0 3.9 scans 89% 73 m/z 0.030% 4.03% 1172 0.5 1325 3303548 96037686 91217128 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 118 58 66 133 90 77 213 121 0.938 17.91 37.8 95 99 93 98 327 129.9 0.962 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1012 Phytol 18.5459 1825.8 3.0 scans 96% 68 m/z 0.10% 1.31% 1184 0.7 860 956727 1.45% 31307633 30202449 34472286 1-1 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 37.7 95 98 99 99 278 49.5 0.332 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1016 Hexadecene 18.6122 1830.9 3.0 scans 90% TIC 0.52% 0.185% 1190 1.7 305 191521 5.60% 4407228 4248037 133134348 0-4 1.000 18.10 38.5 84 83 93 97 280 41.8 1.883 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6406 1833.1 2.6 scans 51% 285 m/z (70) 2.4% 0.0280% 1193 1.0 134 40330 666932 631148 1-1 14: 285 117 132 129 286 145 118 287 201 116 130 300 61 241 0.944 18.73 -6.6 93 95 82 95 300 13.2 0.978 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1076 Pregnane?? 18.7637 1842.5 2.6 scans 90% 345 m/z 0.42% 0.152% 1205 1.0 317 236479 3626861 3451286 1-1 19: 345 73 147 255 346 347 191 256 334 74 148 133 435 257 419 205 239 149 372 0.999 18.86 -7.2 98 97 93 97 537 18.7 0.346 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1002 Phytol 18.8min 18.8426 1848.5 2.8 scans 92% 81 m/z 0.66% 0.215% 1212 1.2 354 150620 0.222% 5125656 4811295 5277826 1-7 20: 81 82 68 95 57 123 55 69 83 79 67 71 96 124 97 109 53 56 110 111 0.998 18.84 0.2 97 96 99 96 278 39.1 1.221 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9394 1855.9 2.7 scans 81% 73 m/z 0.81% 0.0687% 1222 1.1 206 122735 0.133% 1633533 1607173 3161941 3-2 20: 73 103 307 217 147 308 218 277 133 104 74 189 205 309 117 89 148 364 191 172 0.998 18.40 40.9 93 97 97 99 364 18.6 0.814 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1070 Fructose 19.0583 1864.9 2.9 scans 49% 73 m/z (81) 0.96% 0.0643% 1233 1.4 188 103719 0.133% 1530129 1403414 3161941 1-0 20: 73 103 307 217 147 308 218 277 89 104 309 364 262 205 189 74 148 219 133 117 0.902 19.19 -10.4 87 89 89 88 554 7.0 0.138 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1018 Fructose 19.0583 1864.9 2.9 scans 46% 73 m/z 0.97% 0.0557% 1233 1.4 183 102474 0.115% 1326273 1216440 2734009 1-0 20: 73 103 307 217 147 308 218 277 89 104 309 364 262 205 189 74 148 219 133 117 0.974 18.52 40.6 88 93 92 96 364 18.7 1.055 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0888 1867.3 2.7 scans 94% 81 m/z 0.30% 0.439% 1236 0.8 518 327705 10448028 10125111 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 53 56 111 0.998 18.58 38.9 93 95 98 99 278 67.7 1.707 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1068 Galactopyranose 19.2088 1876.4 2.6 scans 78% 204 m/z 0.68% 0.0515% 1247 1.2 194 145925 0.119% 1226262 1211464 2829105 1-0 15: 204 73 191 205 147 217 206 192 218 129 193 189 148 231 219 0.996 19.32 -8.1 92 91 91 92 435 10.6 0.301 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN BRA4_R~2-N1004 Galactose 19.2593 1880.3 2.7 scans 59% 319 m/z 2.1% 0.0289% 1252 0.9 135 46178 0.0723% 689304 689304 1718860 0-0 14: 319 205 160 320 103 321 206 161 207 157 229 189 148 89 0.989 19.36 -7.8 92 92 87 93 364 6.8 0.254 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9106 1931.6 2.6 scans 73% 204 m/z (73) 0.65% 0.0608% 1314 1.0 192 152346 1447524 1313996 3-2 13: 204 159 205 217 206 129 218 191 291 160 207 219 305 1.000 19.91 -0.1 93 94 94 95 361 9.1 0.226 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2725 1960.7 2.6 scans 78% 204 m/z (71) 0.41% 0.107% 1348 1.2 257 243255 2564981 2377557 2-3 19: 204 73 191 205 147 217 206 192 218 189 74 129 133 103 193 148 305 219 117 0.998 20.41 -11.3 93 94 94 94 217 57.7 5.038 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7776 2001.3 2.9 scans 93% 79 m/z 0.41% 0.362% 1396 1.0 469 240026 0.414% 8625592 8419595 9842432 1-1 20: 79 75 73 67 93 95 91 108 80 129 55 94 81 121 77 307 107 135 105 145 0.999 20.27 41.1 84 85 95 98 322 30.4 0.419 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1038 C16:0 21.1427 2032.0 3.0 scans 98% 313 m/z 0.034% 2.91% 1431 0.6 1267 2884619 69218152 68936241 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 69 57 74 201 315 116 269 1.000 20.62 43.7 94 99 99 100 328 142.7 1.269 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6572 2075.2 2.7 scans 72% 305 m/z 1.5% 0.0570% 1480 0.9 189 63995 1356067 1289520 3-1 18: 305 217 318 147 191 306 265 319 218 307 432 320 192 367 148 433 291 219 0.992 21.75 -7.7 95 94 91 94 507 12.8 0.460 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9529 2100.1 3.0 scans 76% TIC 1.4% 0.0690% 1508 0.7 199 67137 0.175% 1641057 1433125 4160448 2-3 0.980 22.33 -32.9 95 97 94 98 342 24.5 1.520 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1707 2119.1 2.7 scans 23% 396 m/z 7.0% 0.00927% 1529 1.3 75 14271 0.0109% 220398 209001 259136 1-0 8: 396 219 397 381 398 220 307 382 0.677 22.19 -1.4 85 86 66 88 396 31.5 17.512 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1040 Phytol 22.6158 2158.0 3.0 scans 94% 143 m/z 0.045% 0.757% 1571 0.9 662 2199192 18020457 17319427 4-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 71 82 103 97 83 67 74 96 1.000 22.08 46.5 81 82 90 97 181 10.2 0.024 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1042 C18:2 23.0482 2195.7 6.6 scans 98% 73 m/z (342) 0.12% 2.74% 1612 1.3 861 796854 8.61% 65148121 61561696 204694060 5-0 8: 73 132 205 170 354 168 141 214 0.992 22.53 44.9 89 96 97 99 352 51.8 0.362 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1619 2205.9 4.4 scans 94% 75 m/z 0.043% 6.41% 1623 0.4 1556 2321702 7.92% 152627605 145778043 188290006 0-9 20: 75 79 73 95 67 93 108 81 80 129 55 335 91 117 107 94 121 135 149 77 0.993 23.12 4.1 98 97 99 97 350 108.6 0.487 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1036 C18:0 23.4018 2227.9 2.8 scans 91% 341 m/z 0.12% 0.748% 1646 0.7 677 776385 17798675 17357753 1-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 74 201 116 297 0.996 22.89 46.1 93 99 98 99 356 86.4 1.625 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1004 Prostaglandin 23.7511 2259.8 9.7 scans 41% TIC 2.3% 0.0131% 1679 0.9 140 43030 0.147% 313136 313136 3494777 0-0 0.957 23.76 -0.6 82 82 73 81 360 12.6 0.815 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1425 2295.6 3.2 scans 33% 204 m/z 1.1% 0.0301% 1716 0.9 132 85025 0.0422% 717768 682864 1003262 1-2 16: 204 205 337 217 147 103 206 338 219 218 191 361 148 339 189 243 0.650 24.01 12.1 84 83 67 92 490 0.0 0.000 0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1012 Androsterone 24.23min 24.2288 2303.6 3.1 scans 40% 143 m/z 0.76% 0.0300% 1724 1.1 139 130015 0.0686% 715203 713154 1630896 1-0 10: 143 144 156 145 272 279 155 170 219 130 0.906 24.23 -0.2 89 90 83 89 362 10.2 0.540 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1018 myo-Inositol 25.2136 2397.2 3.4 scans 74% TIC 0.59% 0.180% 1818 0.9 307 168569 0.319% 4286946 4240167 7583903 1-1 0.950 25.21 0.4 98 96 95 100 470 20.7 0.452 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6145 2436.8 3.1 scans 51% 91 m/z 0.53% 0.0700% 1856 1.4 191 186671 1665643 1544332 3-3 18: 91 117 194 207 92 115 208 65 193 312 104 118 51 78 178 128 179 165 0.934 25.61 0.5 97 96 94 99 312 21.7 1.280 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2974 2504.6 3.2 scans 28% 204 m/z 1.2% 0.0424% 1921 1.0 143 82187 1009795 684905 22-0 5: 204 205 219 206 306 0.940 25.86 43.9 87 92 92 98 361 6.1 0.000 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5542 2531.1 2.9 scans 29% 512 m/z 1.7% 0.0476% 1945 1.2 167 56851 1133931 1121427 0-1 18: 512 455 247 513 456 514 349 248 483 263 457 497 484 423 409 249 515 235 0.961 26.57 -2.0 93 94 78 94 512 61.4 13.457 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9308 2570.0 2.8 scans 92% 371 m/z 0.039% 1.48% 1981 0.7 966 2515065 35337297 34285516 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 75 145 101 117 85 1.000 26.39 55.4 90 98 98 100 459 120.7 1.564 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1010 Sucrose 27.4191 2621.1 3.1 scans 55% 361 m/z (397) 0.37% 0.220% 2027 1.0 336 266649 0.243% 5253167 4827046 5777080 6-15 12: 361 362 437 363 271 451 438 243 439 364 452 272 0.974 27.58 -17.1 97 98 95 99 437 58.5 3.040 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN LQC1-N1008 Sucrose 27.4191 2621.1 3.1 scans 54% 361 m/z 0.37% 0.204% 2027 1.0 333 267154 0.224% 4852495 4458876 5325374 6-15 12: 361 362 437 363 271 451 438 243 439 364 452 272 0.886 27.59 -18.4 98 98 90 98 437 58.7 3.105 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7290 2764.2 2.8 scans 92% 399 m/z 0.065% 0.930% 2152 0.8 763 1522523 22126769 21474872 0-1 20: 399 400 73 147 129 57 205 203 55 103 401 71 487 116 145 75 117 85 267 101 1.000 28.19 60.3 89 98 98 100 487 93.6 1.506 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1034 Nonacosane 29.5077 2851.8 2.9 scans 48% 57 m/z 0.85% 0.0573% 2226 1.1 200 117578 1364457 1270664 2-1 17: 57 71 85 55 365 56 99 83 70 113 127 366 364 393 141 84 58 0.985 29.50 0.3 95 95 96 95 408 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8328 2888.4 3.1 scans 52% 57 m/z 0.60% 0.0902% 2257 1.4 238 166078 0.113% 2145439 2098201 2686461 1-0 20: 57 71 85 55 99 69 83 56 97 70 113 84 127 111 98 141 72 140 58 155 0.992 29.83 0.7 97 97 98 97 408 13.1 0.302 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4252 2958.1 >5 scans 62% TIC 0.41% 0.405% 2313 0.5 371 242506 1.32% 9645314 7393719 31381668 5-0 0.970 30.36 8.0 84 82 86 89 529 15.7 0.178 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4704 2963.5 3.2 scans 64% 57 m/z 0.15% 0.501% 2317 1.0 485 655828 0.611% 11929922 9780076 14525908 2-12 19: 57 71 56 85 393 55 69 83 99 97 70 392 394 113 111 84 141 58 365 0.979 30.46 0.9 98 97 98 99 393 111.3 5.262 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2133 3051.7 2.8 scans 80% 57 m/z 0.13% 0.487% 2388 0.8 542 765967 11599103 10308739 4-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 155 394 58 98 0.994 31.21 0.2 100 98 100 100 393 79.6 2.156 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1048 Hentriacontane 31.5174 3087.8 3.0 scans 82% TIC 0.11% 0.491% 2417 0.6 573 872184 1.05% 11680689 11680689 24962690 0-0 0.998 31.53 -1.7 99 99 100 99 436 30.8 0.289 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6847 3107.7 7.2 scans 16% 204 m/z 1.9% 0.0123% 2433 0.9 109 50407 0.0172% 294094 266808 408913 0-1 9: 204 597 205 337 217 73 191 129 206 0.851 31.68 1.1 81 83 77 82 597 13.7 1.573 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8130 3122.9 2.9 scans 68% 502 m/z 0.17% 0.311% 2445 0.9 435 558030 7394296 6684763 1-1 15: 502 237 503 73 236 238 504 277 221 223 239 74 505 208 193 0.964 31.79 2.5 99 98 97 99 502 203.7 21.878 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9404 3138.0 3.1 scans 63% 329 m/z 0.56% 0.381% 2457 1.1 466 175994 9073796 8894806 1-0 15: 329 129 368 353 458 95 107 330 105 121 145 328 553 119 369 0.849 31.87 8.6 91 91 90 97 458 62.9 1.816 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1203 3159.4 3.1 scans 76% 57 m/z 0.080% 0.866% 2474 0.7 694 1240313 20608101 20053343 1-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 111 127 84 141 58 155 0.994 32.11 1.2 96 94 98 99 421 155.2 5.010 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1004 Campesterol 32.7874 3238.6 3.4 scans 54% 129 m/z 0.27% 0.721% 2538 0.7 602 363645 0.760% 17157451 15767415 18068233 1-1 19: 129 343 382 472 367 95 75 107 121 344 119 145 81 342 105 383 93 159 91 0.966 32.21 68.5 83 94 83 96 472 93.5 2.413 0.577 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1046 Stigmasterol 32.9789 3261.4 2.9 scans 79% 83 m/z 0.23% 0.738% 2556 0.7 681 428321 17567137 16586206 1-1 19: 83 129 55 255 69 394 484 81 75 159 133 119 105 107 145 93 95 97 351 0.990 32.98 -0.4 95 93 97 97 665 13.7 0.041 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1030 3276.1 3.0 scans 80% 57 m/z 0.081% 0.852% 2568 0.7 698 1230373 20260110 20226978 0-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 58 82 0.995 33.10 0.7 87 84 97 93 515 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN WTF2-N1034 b-Sitosterol 33.4871 3321.7 3.5 scans 85% 129 m/z 0.15% 1.56% 2604 0.6 872 659041 1.94% 37313022 35939730 46121542 12-3 20: 129 357 396 73 486 381 95 75 121 119 107 57 145 358 81 397 105 356 159 55 1.000 32.88 72.4 86 98 98 99 486 122.8 1.984 0.610 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5902 3334.0 3.2 scans 50% 386 m/z 1.3% 0.222% 2614 0.9 346 75507 5296348 4896826 2-11 6: 386 296 281 387 257 371 0.984 33.58 0.7 93 92 94 98 505 2.8 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8901 3369.6 3.5 scans 23% 441 m/z 0.73% 0.0618% 2642 1.0 172 135728 1470404 1425250 1-1 9: 441 442 308 646 647 427 200 425 648 0.956 33.80 11.2 95 96 87 96 646 28.6 2.774 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5782 3451.3 3.8 scans 16% 596 m/z 0.90% 0.0596% 2708 1.0 162 110780 1417999 1403597 0-1 15: 596 597 598 316 599 302 356 315 318 303 300 330 301 370 286 0.958 34.47 12.6 96 96 87 98 596 90.8 31.298 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN EXBLK5S-N1006 Contamination 6.3794 1048.8 2.0 scans 71% 207 m/z 0.65% 0.0307% 28 0.9 177 151957 0.0346% 907981 797817 1021930 1-5 19: 207 73 295 208 209 296 191 297 74 279 189 193 177 133 247 192 210 265 119 0.969 6.63 -14.5 97 96 90 97 295 55.8 9.934 -0.246 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9040 1139.1 >6 scans 34% TIC 6.8% 0.00164% 173 0.9 51 14609 0.111% 48706 48706 3278447 0-0 0.924 7.79 6.5 86 87 80 87 219 0.0 0.000 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1192 Contamination 8.0608 1148.4 2.7 scans 96% 147 m/z (152) 0.23% 0.248% 188 0.6 379 426715 7331839 6674722 20-0 19: 147 73 133 235 220 148 146 59 72 86 74 89 160 103 100 149 134 131 236 0.991 7.99 4.2 95 96 97 97 235 77.2 4.151 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1026 Cadaverine NC 8.1387 1153.0 2.3 scans 66% 174 m/z 2.2% 0.00914% 195 1.0 89 45194 0.0312% 270179 268268 921509 1-0 8: 174 175 216 86 100 176 160 130 0.983 7.74 23.8 93 94 89 96 216 21.4 5.817 0.403 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1188 Contamination 8.3197 1163.8 2.3 scans 87% 281 m/z 0.92% 0.0423% 212 1.3 184 107976 1251965 1121733 1-11 20: 281 147 73 369 282 283 370 265 148 207 371 249 191 152 149 74 284 267 372 251 0.984 8.41 -5.6 98 97 80 100 369 52.4 8.071 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1186 Phosphate 8.5838 1179.4 2.4 scans 97% 241 m/z 0.038% 0.610% 237 0.8 694 2609360 18032756 18026690 0-1 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 137 134 75 212 121 1.000 8.56 1.4 100 99 99 100 299 0.0 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1180 Benzoic acid 9.7296 1246.7 3.3 scans 45% 179 m/z 8.8% 0.00502% 346 0.5 47 11328 0.00518% 148472 117014 152994 4-3 6: 179 105 135 77 180 51 0.965 9.76 -1.8 93 94 83 94 194 5.8 1.508 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN VEN77_S6-N1002 Glycerol 10.0821 1267.4 4.9 scans 96% 299 m/z 0.013% 3.84% 380 0.4 1279 7644656 113477393 113463990 1-0 20: 299 300 73 314 301 133 283 207 315 211 193 191 316 302 135 74 225 75 284 131 1.000 10.09 -0.6 98 97 93 99 299 727.4 32.499 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1174 Proline 10.4546 1289.1 5.9 scans 75% TIC 1.3% 0.0287% 415 0.7 104 75703 0.148% 848392 784545 4371263 3-0 0.962 10.55 -5.3 91 89 85 94 142 72.4 48.759 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5587 1295.2 2.5 scans 90% 147 m/z 0.34% 0.0707% 425 1.0 233 291629 0.0909% 2090427 1891561 2684782 1-7 19: 147 73 148 245 149 115 83 133 74 170 246 143 126 66 84 58 59 215 72 0.999 10.60 -2.6 97 96 97 97 245 53.2 5.226 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7071 1304.0 3.2 scans 88% 199 m/z 1.3% 0.0593% 439 0.7 179 71527 0.0661% 1753107 1647155 1952301 7-1 16: 199 75 117 145 129 200 132 131 67 81 76 118 61 201 72 155 0.994 10.73 -1.6 96 94 93 99 209 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1168 Glyceric acid 10.9796 1320.4 2.7 scans 94% 73 m/z 0.36% 0.119% 465 1.0 303 273866 3538502 3420453 1-1 20: 73 147 189 292 103 133 205 293 148 102 190 117 307 74 294 75 149 191 101 59 0.999 11.05 -4.5 99 98 98 99 292 87.1 8.289 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0375 1323.9 2.8 scans 49% 184 m/z 8.2% 0.00448% 470 0.9 54 12050 0.00901% 132320 120844 266115 0-4 9: 184 285 134 174 86 100 77 185 59 0.909 11.06 -1.6 88 90 65 89 285 19.7 13.084 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1162 Fumaric acid 11.3079 1340.2 2.5 scans 85% 245 m/z 0.81% 0.0332% 496 1.0 156 123288 0.0763% 982240 893587 2253563 2-1 17: 245 147 246 143 247 83 115 133 148 149 74 155 53 61 144 157 84 0.998 11.39 -5.1 98 97 94 97 245 92.4 35.001 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4068 1346.2 5.6 scans 73% 57 m/z (84) 0.66% 0.0927% 506 0.5 189 149415 0.103% 2738336 2737207 3042163 1-0 20: 57 115 97 145 127 129 69 56 55 59 111 109 128 72 71 87 146 114 116 201 0.990 11.45 -2.3 97 98 97 99 145 54.7 8.403 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4268 1347.4 2.9 scans 55% 84 m/z 0.92% 0.0310% 508 1.3 138 107669 0.0318% 916623 830885 939231 6-4 18: 84 133 162 161 119 92 118 65 51 134 78 63 163 91 52 120 105 104 0.994 10.96 28.4 92 94 91 94 161 37.4 7.335 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6814 1362.7 2.5 scans 72% TIC 4.2% 0.00732% 532 1.0 80 23407 0.0218% 216326 204991 643875 1-0 0.992 11.79 -6.2 86 86 83 86 262 9.9 1.539 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1146 Malic acid 13.5070 1475.9 3.3 scans 98% 73 m/z 0.016% 3.18% 705 0.5 1354 5994281 94027002 93563056 1-0 20: 73 147 233 245 189 133 190 148 75 335 175 191 74 55 149 101 234 217 265 307 1.000 13.62 -6.9 100 100 100 100 350 34.7 0.066 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9794 1506.0 3.0 scans 85% TIC 0.32% 0.0806% 750 1.2 230 303335 2382312 2216312 1-1 0.928 14.11 -8.7 96 93 94 98 273 9.0 0.152 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2867 1526.4 2.7 scans 59% 263 m/z 0.74% 0.0326% 779 1.1 151 133605 965460 965460 1-0 14: 263 264 278 447 265 279 175 207 247 449 105 128 191 280 0.979 14.33 -2.6 86 81 85 96 278 37.5 6.193 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5781 1545.7 2.7 scans 92% TIC 0.23% 0.192% 807 0.8 373 418626 5689195 5277099 2-1 0.991 14.69 -7.5 99 98 97 98 409 25.4 0.465 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5792 1545.8 2.5 scans 91% 73 m/z (71) 0.24% 0.180% 807 1.1 372 409434 5324650 5070964 1-1 20: 73 292 147 220 205 293 217 117 103 221 148 294 74 133 149 206 319 102 75 130 0.998 14.62 -2.8 98 99 98 99 409 25.4 0.469 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1044 Dodecanol 14.7360 1556.2 2.6 scans 72% 243 m/z 1.5% 0.0200% 822 1.0 124 63224 0.0204% 593398 564433 602525 1-1 13: 243 244 103 89 97 61 245 101 76 111 59 115 67 0.995 14.24 32.8 93 95 91 97 243 66.2 28.557 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN TAB_REP6-N1042 Ribose 15.9923 1641.3 2.8 scans 32% TIC 14% 0.000711% 941 0.9 46 6753 0.00561% 21007 21007 165694 0-0 0.979 16.10 -7.7 81 84 69 84 307 15.9 11.889 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1114 Xylose 15.9923 1641.3 2.5 scans 35% 103 m/z 9.4% 0.00309% 942 1.1 48 10556 91475 91475 1-0 5: 103 307 189 308 160 0.848 16.06 -5.0 81 83 56 82 307 20.0 17.753 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1985 1655.7 2.7 scans 51% 290 m/z 1.1% 0.0188% 961 1.8 108 90317 556460 546520 0-1 7: 290 291 292 392 158 144 393 0.737 16.28 -5.4 92 92 65 97 392 18.2 2.821 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5499 1680.1 2.9 scans 72% TIC 2.0% 0.0175% 994 1.0 132 47903 0.0834% 519508 519508 2463266 0-0 1.000 16.63 -5.3 94 93 94 93 210 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1010 Glycerol-P 17.4801 1746.9 2.5 scans 96% 357 m/z 0.055% 1.33% 1083 0.7 1013 1810914 39467358 38756123 3-0 20: 357 299 73 358 147 315 300 445 370 211 359 101 103 301 133 256 387 129 218 328 0.994 16.97 37.4 96 99 98 99 445 159.5 2.478 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1086 Fructofuranose 18.1809 1798.1 >4 scans 55% TIC 2.1% 0.0162% 1149 2.0 115 45885 0.228% 479142 479142 6734108 0-0 0.956 18.13 3.5 87 86 83 88 437 30.6 7.033 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1082 Citric acid 18.2471 1803.1 2.6 scans 90% 73 m/z (71) 0.23% 0.248% 1156 0.9 417 432132 0.262% 7350493 6927255 7738317 0-1 20: 73 273 147 363 274 347 375 465 275 149 75 148 211 364 74 133 305 221 348 183 0.999 18.32 -5.6 95 95 95 98 465 54.4 1.705 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4334 1817.3 4.1 scans 91% 73 m/z 0.031% 3.25% 1173 0.5 1236 3150246 96020870 94982789 0-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 133 58 213 90 121 77 117 0.939 17.91 39.1 94 99 93 98 327 121.0 0.960 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1012 Phytol 18.5649 1827.3 2.9 scans 98% TIC 0.087% 1.23% 1186 0.7 913 1138924 1.42% 36596365 35959946 41940496 1-0 1.000 18.04 39.2 94 98 99 99 278 52.8 0.335 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1016 Hexadecene 18.6291 1832.2 3.0 scans 91% TIC 0.40% 0.190% 1192 1.3 337 249407 4.70% 5636976 5131127 138817135 0-4 0.996 18.10 39.8 82 82 92 97 280 48.2 2.047 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6585 1834.4 2.8 scans 66% 285 m/z (70) 1.7% 0.0372% 1195 1.0 161 58186 0.0406% 1099807 1042298 1199144 1-1 18: 285 117 75 132 129 286 145 118 131 287 116 201 130 300 61 241 76 257 0.989 18.73 -5.3 94 95 89 95 300 14.7 0.832 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1076 Pregnane?? 18.7869 1844.2 2.7 scans 97% 345 m/z 0.035% 1.42% 1207 0.9 1020 2780787 42039546 41359051 0-1 20: 345 73 147 346 255 347 204 191 334 256 74 133 435 148 75 372 257 419 239 149 0.999 18.86 -5.5 100 99 99 100 537 63.5 0.388 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8606 1849.9 2.7 scans 92% 81 m/z 0.51% 0.203% 1214 1.1 386 194361 0.225% 6002937 5640452 6645501 1-5 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 110 56 278 1.000 18.58 21.5 97 95 98 99 278 44.0 1.300 0.282 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1072 Fructose 18.9626 1857.6 2.6 scans 97% 73 m/z 0.034% 1.50% 1224 0.8 1053 2902440 44343177 43950497 1-0 20: 73 103 307 217 147 308 218 277 133 309 205 74 189 104 117 364 219 89 148 75 1.000 19.03 -5.4 99 98 99 99 364 103.9 0.976 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN TAB_REP6-N1052 Fructose 19.0805 1866.6 2.6 scans 89% 73 m/z 0.048% 1.02% 1235 0.8 883 2076827 30340549 29335304 1-1 20: 73 103 307 217 147 308 218 277 309 205 74 133 364 104 89 117 262 189 219 148 0.996 19.10 -1.8 98 97 97 97 364 90.8 1.059 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1070 Fructose 19.0815 1866.7 3.2 scans 83% TIC 0.050% 1.27% 1235 1.5 854 1968239 37640197 35100478 2-1 0.985 19.19 -8.6 98 97 97 98 554 37.5 0.194 -0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1068 Galactopyranose 19.2257 1877.7 >3 scans 55% TIC 1.1% 0.0119% 1249 0.6 135 84428 1.73% 352667 349967 51096520 1-0 0.988 19.32 -6.8 90 89 89 90 435 8.2 0.369 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1064 Mannose 19.2867 1882.4 2.7 scans 96% 319 m/z 0.044% 1.40% 1255 0.7 987 2254615 41629287 39964695 1-1 20: 319 73 205 147 160 320 217 103 321 206 117 133 74 229 129 189 157 207 161 148 1.000 19.45 -12.8 100 99 99 99 319 358.5 13.221 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1062 Glucose 19.5256 1900.6 2.7 scans 88% 73 m/z 0.18% 0.279% 1277 1.0 448 538199 0.297% 8255525 7899840 8772062 2-0 20: 73 319 205 147 160 103 320 217 206 321 133 74 117 89 229 189 148 207 161 129 0.975 19.66 -10.5 97 96 95 96 319 151.7 11.452 -0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN TAB_REP6-N1059 Glucose 19.5256 1900.6 2.7 scans 88% TIC 0.18% 0.292% 1277 1.0 448 538594 0.411% 8635952 7263504 12139115 4-0 0.973 19.55 -2.1 97 96 96 96 376 15.7 0.122 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9265 1932.8 2.8 scans 70% 204 m/z 0.36% 0.0881% 1315 1.3 243 270616 0.105% 2604809 2398608 3101234 2-6 13: 204 217 159 205 206 129 218 191 219 160 291 203 243 0.991 19.91 1.1 97 96 95 98 361 12.1 0.247 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2874 1961.8 2.7 scans 66% 204 m/z 0.72% 0.0454% 1350 1.0 182 138206 1341331 1318917 1-2 14: 204 191 205 147 217 192 206 218 193 189 291 148 219 305 0.979 20.41 -10.2 90 90 90 90 217 42.1 5.345 -0.127 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7987 2003.1 3.0 scans 93% TIC 0.28% 0.460% 1398 1.0 558 356996 0.683% 13589363 13133904 20172788 0-4 0.999 20.27 42.9 83 83 94 98 322 36.3 0.422 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1038 C16:0 21.1649 2033.9 3.5 scans 97% 313 m/z 0.029% 3.06% 1433 0.5 1312 3370032 90419468 90084139 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 201 315 74 116 269 1.000 20.62 45.6 94 99 99 100 328 150.0 1.308 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6773 2076.9 2.7 scans 96% TIC 0.078% 0.990% 1482 0.6 824 1271710 1.08% 29265360 28223808 31898406 2-0 0.998 21.75 -6.0 100 99 98 99 507 52.2 0.401 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8962 2095.3 4.2 scans 47% TIC 2.0% 0.0119% 1503 1.0 126 47637 0.124% 353912 353912 3662410 0-0 0.929 21.93 -2.8 89 89 80 90 656 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9719 2101.7 3.2 scans 74% TIC 1.2% 0.0723% 1510 0.9 213 77487 0.160% 2137645 1919376 4725690 0-1 0.974 22.33 -31.3 95 97 95 98 342 25.6 1.446 -0.358 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1876 2120.6 3.0 scans 11% 396 m/z 9.0% 0.00367% 1530 1.4 48 11043 0.00466% 108527 108527 137636 0-0 6: 396 219 397 381 398 220 0.777 22.19 0.1 83 86 48 86 396 27.6 32.672 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1040 Phytol 22.6306 2159.3 3.4 scans 94% TIC 0.047% 0.647% 1572 1.0 620 2084650 0.708% 19128996 18146745 20911177 1-12 0.999 22.08 47.8 81 82 90 97 181 11.0 0.031 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1042 C18:2 23.0620 2196.9 >8 scans 81% 73 m/z (342) 0.11% 1.92% 1613 2.2 759 900333 6.93% 56841618 56813233 204681435 1-0 19: 73 74 132 229 192 155 169 218 183 59 209 205 134 103 115 101 223 208 214 0.987 22.53 46.1 85 92 90 96 352 46.2 0.371 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1925 2208.7 4.9 scans 90% 79 m/z 0.037% 6.62% 1626 0.3 1602 2647703 7.86% 195659541 179327433 232149507 0-8 20: 79 75 73 95 93 67 108 81 80 91 55 129 107 94 117 121 335 135 77 149 0.990 23.12 6.9 97 96 98 96 350 112.8 0.496 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1036 C18:0 23.4176 2229.3 2.6 scans 89% 117 m/z 0.11% 0.638% 1647 0.9 689 878834 18844516 17459843 2-3 20: 117 341 73 132 75 129 145 342 55 356 57 133 131 118 69 201 74 343 116 130 0.999 22.89 47.5 93 99 98 99 356 87.9 1.625 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1004 Prostaglandin 23.7712 2261.6 2.9 scans 73% 73 m/z (95) 0.48% 0.159% 1681 0.9 330 206706 0.218% 4709766 4486860 6438752 2-0 19: 73 169 231 143 211 156 147 195 81 182 170 181 221 183 235 317 196 157 232 0.999 23.76 1.2 95 96 96 96 360 27.3 0.682 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1584 2297.0 3.2 scans 29% 204 m/z 0.83% 0.0377% 1718 0.8 150 119877 0.0454% 1115249 1006239 1340914 0-10 18: 204 205 217 337 147 103 206 338 218 219 191 361 339 203 319 177 362 291 0.697 24.18 -2.1 89 90 71 91 581 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1584 2297.0 3.2 scans 34% 204 m/z (117) 0.83% 0.0475% 1718 0.8 160 120148 0.0572% 1405025 1267690 1689434 0-10 18: 204 205 217 337 147 103 206 338 218 219 191 361 339 203 319 177 362 291 0.850 24.01 13.5 89 92 86 93 490 0.0 0.000 0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1018 myo-Inositol 25.2285 2398.6 2.9 scans 61% 318 m/z 0.81% 0.101% 1819 0.9 250 122332 0.111% 3000360 2504430 3278447 14-3 18: 318 315 299 147 387 319 316 389 320 300 317 388 191 301 343 432 183 433 0.960 25.21 1.8 98 97 94 99 470 18.1 0.524 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6357 2438.9 3.2 scans 48% 91 m/z 0.69% 0.0409% 1858 1.2 157 144049 0.0537% 1210458 1135687 1586060 4-4 18: 91 117 194 207 208 92 65 193 115 312 104 51 179 118 116 102 128 89 0.935 25.61 2.6 97 98 97 98 312 18.8 1.435 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3164 2506.6 3.0 scans 49% 204 m/z 0.68% 0.0705% 1923 1.0 191 147031 0.249% 2084517 1499503 7354355 21-0 7: 204 217 205 219 206 305 232 0.944 25.86 45.9 85 89 90 98 361 11.7 0.000 0.460 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5721 2533.0 2.7 scans 43% 512 m/z (218) 1.1% 0.0530% 1947 1.0 195 85157 1565575 1476071 1-1 17: 512 455 247 513 456 514 483 248 263 349 457 497 484 249 423 409 235 0.967 26.57 -0.1 94 95 86 96 512 64.9 11.024 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9488 2571.9 2.7 scans 92% 371 m/z 0.033% 1.42% 1983 0.7 1011 3014618 42044627 40773996 2-0 20: 371 372 73 147 129 57 205 203 239 459 373 55 71 103 116 145 75 101 85 117 1.000 26.39 57.3 90 98 97 100 459 126.9 1.580 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN LQC1-N1010 Sucrose 27.4423 2623.6 2.9 scans 92% 361 m/z 0.024% 2.28% 2030 0.8 1227 4011217 2.37% 67496073 64368867 69999279 1-6 20: 361 73 217 362 147 437 363 103 271 129 169 218 451 243 438 319 191 74 219 439 0.996 27.58 -14.6 100 98 98 100 437 224.8 3.373 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7460 2766.1 3.0 scans 92% 399 m/z 0.062% 0.884% 2154 0.7 756 1610734 26113938 25527777 1-1 20: 399 400 73 147 129 57 205 203 401 103 487 55 71 116 75 267 145 117 85 101 1.000 28.19 62.2 89 98 97 100 487 97.2 1.653 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1034 Nonacosane 29.5225 2853.5 >4 scans 51% TIC 0.98% 0.0303% 2227 1.0 189 101069 0.202% 897764 897764 5966183 0-0 0.969 29.50 2.0 94 94 97 95 408 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8476 2890.1 3.1 scans 54% 57 m/z 0.67% 0.0749% 2258 1.4 217 147526 0.0803% 2212963 1820160 2371706 4-5 18: 57 71 85 55 99 83 56 70 113 97 127 84 98 58 86 155 141 140 0.990 29.83 2.4 95 94 98 96 408 12.4 0.328 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4400 2959.9 3.4 scans 49% 193 m/z (57) 1.0% 0.115% 2315 1.2 249 97920 3401351 3149278 1-3 12: 193 119 105 163 120 176 194 515 247 325 248 516 0.974 30.36 9.8 84 85 89 87 529 11.0 0.196 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4852 2965.2 3.1 scans 75% 57 m/z 0.16% 0.342% 2319 0.9 456 601567 10106700 8827373 8-4 20: 57 71 85 56 393 55 69 83 99 97 70 394 113 392 111 127 84 141 58 155 0.996 30.46 2.6 96 93 98 100 393 103.1 5.102 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2313 3053.8 3.3 scans 79% 57 m/z 0.14% 0.394% 2390 0.8 495 676799 11662630 10927731 2-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 155 394 421 98 0.995 31.21 2.3 99 98 99 100 393 74.3 2.255 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1048 Hentriacontane 31.5353 3089.9 3.1 scans 74% 57 m/z 0.13% 0.424% 2419 0.8 513 751147 12552427 11181220 2-6 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 86 0.998 31.53 0.4 98 98 99 98 436 30.0 0.341 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7037 3109.9 4.2 scans 23% 204 m/z 1.3% 0.0199% 2435 1.0 133 73642 0.239% 588897 569793 7058999 0-1 14: 204 597 205 217 73 129 337 103 598 338 361 206 147 191 0.889 31.68 3.3 88 89 84 89 597 16.8 1.610 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8321 3125.2 3.1 scans 79% 502 m/z 0.11% 0.404% 2447 1.0 506 848292 11944288 11411938 1-1 15: 502 237 503 73 236 238 504 277 221 223 208 239 74 505 193 0.991 31.79 4.8 100 99 98 100 502 242.3 22.913 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.2 scans 68% 329 m/z 0.55% 0.344% 2459 1.1 463 180323 10165748 9672123 1-1 16: 329 129 368 353 458 553 95 330 107 145 369 328 121 105 119 159 0.894 31.87 11.2 93 94 92 97 458 62.8 1.840 0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1382 3161.5 3.1 scans 76% 57 m/z 0.075% 0.756% 2476 0.8 696 1319204 22344690 20118545 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 111 127 84 141 155 58 0.996 32.11 3.3 95 92 98 99 421 162.9 5.486 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1004 Campesterol 32.8064 3240.9 3.8 scans 59% 129 m/z 0.29% 0.589% 2539 0.8 563 338908 0.610% 17419017 15927860 18016692 0-1 19: 129 343 382 472 367 95 107 75 121 119 344 383 145 105 342 81 159 93 91 0.974 32.21 70.8 82 94 83 96 472 88.5 2.472 0.596 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1046 Stigmasterol 32.9989 3263.8 3.3 scans 81% 83 m/z (309) 0.23% 0.755% 2558 0.9 663 425628 22318093 22293227 0-1 19: 83 129 55 255 69 394 484 81 75 133 159 105 119 145 107 95 93 97 351 0.997 32.98 2.0 95 96 98 97 665 17.9 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1252 3278.8 3.2 scans 83% 57 m/z 0.069% 0.861% 2570 0.6 736 1437155 25446933 24753026 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.995 33.10 3.4 90 87 97 93 515 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN WTF2-N1034 b-Sitosterol 33.5124 3324.8 3.8 scans 85% 129 m/z 0.13% 1.62% 2607 0.5 899 733237 1.78% 47910680 44010715 52573298 15-3 19: 129 357 396 381 486 95 75 121 107 145 119 57 358 356 397 81 105 159 55 0.999 32.88 75.5 85 97 98 99 486 130.2 2.099 0.635 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6134 3336.8 3.3 scans 51% 386 m/z 1.1% 0.204% 2616 1.1 352 88733 6033810 5792507 1-1 6: 386 296 387 281 257 371 0.984 33.58 3.5 92 91 94 97 505 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9091 3371.9 3.7 scans 9.5% 441 m/z 1.5% 0.0174% 2644 1.1 96 63279 515394 497815 1-1 5: 441 442 646 308 443 0.893 33.80 13.5 93 94 67 94 646 20.0 4.354 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6015 3454.1 3.9 scans 16% 596 m/z 0.72% 0.0768% 2710 1.0 194 137342 2270205 2136892 1-1 14: 596 597 598 316 599 302 356 315 303 612 330 370 286 288 0.853 34.47 15.4 95 95 83 98 596 97.5 25.353 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 1.8 scans 76% 207 m/z 0.59% 0.0420% 27 1.2 207 169123 1243037 1218051 1-0 14: 207 295 208 209 191 296 297 279 193 192 210 189 247 177 0.986 6.63 -15.0 96 95 88 95 295 57.7 7.779 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1192 Contamination 8.1072 1151.2 2.6 scans 94% 147 m/z 0.12% 0.432% 192 0.7 507 792633 12772959 10329892 25-1 20: 147 73 133 220 235 148 146 59 72 86 74 89 160 100 75 149 103 131 134 221 0.999 7.99 7.0 96 95 96 95 235 104.4 4.249 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1188 Contamination 8.3155 1163.5 2.3 scans 70% 281 m/z 2.5% 0.0150% 212 1.2 109 39614 445234 418171 0-6 12: 281 147 369 282 283 370 371 265 207 148 249 149 0.982 8.41 -5.9 96 95 73 97 369 30.6 7.946 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1186 Phosphate 8.6175 1181.4 2.4 scans 97% 241 m/z 0.074% 0.301% 241 1.0 483 1333383 8906569 8558532 1-1 20: 241 242 133 211 73 256 163 243 195 135 98 59 89 147 119 137 134 181 121 212 1.000 8.56 3.4 100 99 99 100 299 0.0 0.000 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1180 Benzoic acid 9.7539 1248.2 3.7 scans 19% 179 m/z 11% 0.00465% 349 0.4 41 8756 0.00497% 137525 99479 146897 2-0 4: 179 105 135 180 1.000 9.76 -0.3 91 93 83 93 194 6.0 2.159 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN VEN77_S6-N1002 Glycerol 10.1032 1268.6 5.0 scans 96% 299 m/z 0.012% 4.01% 382 0.4 1277 7909750 118611334 118375238 2-0 20: 299 300 73 314 301 133 283 207 147 315 211 193 191 316 205 135 302 74 225 75 1.000 10.09 0.6 99 97 94 99 299 728.3 32.672 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7219 1304.9 6.3 scans 66% TIC 1.8% 0.0675% 441 0.4 161 55339 0.0923% 1997803 1961142 2728096 1-1 0.785 10.73 -0.7 94 91 92 99 209 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1168 Glyceric acid 10.9881 1321.0 2.8 scans 71% 73 m/z 2.8% 0.0149% 466 0.9 104 35561 0.0195% 442883 419934 576358 3-0 20: 73 147 189 292 103 133 205 293 190 102 148 215 315 191 74 307 117 59 294 149 0.950 11.05 -3.9 89 86 86 94 292 30.6 8.678 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0502 1324.7 2.7 scans 73% 184 m/z 2.6% 0.0190% 472 1.0 116 37451 563525 562237 1-0 19: 184 134 285 174 77 100 86 185 59 227 135 172 286 186 175 130 178 110 287 0.987 11.06 -0.8 98 97 92 98 285 35.2 9.192 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1162 Fumaric acid 11.3206 1341.0 >3 scans 34% TIC 11% 0.00137% 497 1.8 41 8970 0.0711% 40660 40660 2101491 0-0 0.884 11.39 -4.3 81 86 50 86 245 24.5 35.932 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4164 1346.7 8.4 scans 77% TIC 0.88% 0.105% 507 0.7 164 113266 0.160% 3122078 2968668 4729094 1-0 0.977 11.45 -1.8 99 99 95 99 145 47.9 8.556 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4416 1348.3 2.8 scans 58% 84 m/z 1.1% 0.0232% 509 1.1 123 90206 0.0241% 687796 623869 712320 1-4 17: 84 133 162 161 92 119 51 82 78 134 159 63 230 120 52 64 91 0.996 10.96 29.3 89 91 89 93 161 33.5 7.379 0.486 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1146 Malic acid 13.4776 1474.1 2.6 scans 94% 73 m/z 0.16% 0.228% 702 1.1 403 607559 6758549 6698383 1-0 20: 73 147 233 245 133 189 148 190 75 74 149 175 191 101 335 234 55 177 59 235 0.990 13.62 -8.7 99 98 98 98 350 9.0 0.050 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9753 1505.7 2.7 scans 32% 156 m/z 2.6% 0.00913% 750 1.0 79 37710 270122 270122 1-0 6: 156 258 157 230 158 140 0.531 14.11 -9.0 87 86 80 91 273 0.0 0.000 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5771 1545.6 2.6 scans 54% 73 m/z 3.0% 0.0155% 807 0.8 104 32303 0.0176% 459187 395434 520200 0-2 19: 73 292 147 205 220 217 293 294 103 221 148 206 74 133 102 149 130 319 131 0.982 14.62 -3.0 85 84 82 89 409 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1044 Dodecanol 14.7329 1556.0 3.0 scans 78% TIC 0.94% 0.0374% 822 0.6 155 105688 0.0596% 1106551 1101772 1761588 1-1 0.904 14.24 32.6 95 97 92 98 243 84.2 29.629 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1965 1655.5 2.9 scans 51% 290 m/z 1.1% 0.0218% 961 1.7 113 89039 647052 609384 1-2 9: 290 291 292 392 158 144 115 393 293 0.736 16.28 -5.6 90 89 61 97 392 16.7 2.211 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5469 1679.9 2.7 scans 82% 55 m/z 0.83% 0.0511% 994 1.2 200 120185 0.0788% 1511811 1508318 2329079 1-0 19: 55 83 69 97 73 56 70 84 111 82 127 98 113 68 140 96 54 67 125 0.973 16.63 -5.5 95 95 93 94 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1010 Glycerol-P 17.4781 1746.8 2.6 scans 96% 357 m/z 0.045% 1.66% 1083 0.7 1093 2187850 49353529 47261257 1-1 20: 357 299 73 358 147 315 300 370 445 211 359 103 101 133 301 256 387 129 218 328 1.000 16.97 37.3 96 99 99 99 445 173.7 2.527 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1086 Fructofuranose 18.1725 1797.5 4.3 scans 76% 217 m/z 0.78% 0.0686% 1149 2.5 181 127952 0.141% 2029526 2029526 4167514 0-0 20: 217 73 437 147 438 219 218 439 257 103 191 129 215 74 117 189 303 291 205 148 0.979 18.13 2.9 89 87 87 90 437 42.6 5.541 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4345 1817.4 4.4 scans 95% TIC 0.031% 3.82% 1174 0.5 1273 3225799 113019978 108443653 1-2 0.994 17.91 39.2 95 99 98 99 327 121.1 0.907 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1012 Phytol 18.5650 1827.3 3.1 scans 97% 68 m/z 0.070% 1.64% 1186 0.6 1004 1421443 1.80% 48604045 47992409 53202310 1-0 20: 68 95 82 69 57 123 55 81 67 83 97 71 109 96 124 111 79 56 70 53 1.000 18.04 39.2 94 98 99 99 278 59.3 0.348 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1016 Hexadecene 18.6292 1832.2 2.9 scans 90% TIC 0.29% 0.229% 1192 1.4 382 333858 5.36% 6785070 6512663 158424657 0-1 0.995 18.10 39.8 85 86 93 97 280 55.9 2.141 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6544 1834.1 2.8 scans 40% 285 m/z 1.7% 0.0353% 1194 0.9 153 58403 0.389% 1045917 1014905 11497610 5-0 18: 285 117 75 132 129 286 145 131 287 118 300 201 116 61 241 130 257 185 0.997 18.73 -5.6 95 94 82 94 300 15.5 1.023 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1076 Pregnane?? 18.7733 1843.2 2.7 scans 87% 345 m/z 0.50% 0.107% 1206 1.1 279 196606 3178978 3036725 1-1 20: 345 73 147 346 255 347 334 256 74 148 435 133 419 257 372 149 239 243 348 129 0.996 18.86 -6.5 96 95 90 95 537 16.2 0.336 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8585 1849.7 2.7 scans 92% 81 m/z 0.43% 0.249% 1214 1.0 411 228920 7364779 6533030 1-11 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 53 110 278 111 1.000 18.58 21.3 97 95 98 99 278 47.6 1.339 0.280 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1072 Fructose 18.9469 1856.4 2.6 scans 93% 73 m/z 0.11% 0.412% 1222 1.0 546 858295 12202462 11652457 1-1 20: 73 103 307 217 147 308 277 218 133 74 309 104 189 205 117 364 89 148 75 219 0.999 19.03 -6.6 98 97 98 98 364 51.5 0.892 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN TAB_REP6-N1052 Fructose 19.0669 1865.6 2.7 scans 84% 73 m/z (81) 0.15% 0.360% 1234 1.0 485 666023 0.580% 10640709 9996636 17142967 1-9 20: 73 103 307 217 147 308 218 277 309 205 364 74 89 133 262 104 117 189 219 148 0.999 19.10 -2.8 95 96 97 96 364 48.8 1.015 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1070 Fructose 19.0690 1865.7 >3 scans 87% TIC 0.14% 0.355% 1234 0.9 495 712179 1.16% 10514891 10386540 34285933 1-0 0.999 19.19 -9.6 96 94 96 95 554 21.1 0.182 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1068 Galactopyranose 19.2184 1877.1 >2 scans 54% TIC 1.3% 0.00973% 1248 1.0 129 73407 0.738% 287737 287737 21812947 0-0 0.988 19.32 -7.4 88 88 87 89 435 8.2 0.404 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1064 Mannose 19.2689 1881.0 2.6 scans 91% 73 m/z 0.16% 0.314% 1253 0.9 475 591133 0.593% 9297262 9014500 17527206 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 148 229 189 161 207 157 129 0.992 19.45 -14.2 98 97 96 97 319 173.3 13.303 -0.186 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN BRA4_R~2-N1004 Galactose 19.5151 1899.8 2.9 scans 76% 73 m/z 0.81% 0.0689% 1276 1.0 222 122640 0.105% 2037554 1860417 3103468 1-0 19: 73 319 205 147 160 320 103 217 321 206 71 133 85 74 89 229 189 148 117 0.992 19.36 11.7 93 92 84 93 364 0.0 0.000 0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9213 1932.4 2.7 scans 81% 204 m/z 0.27% 0.117% 1315 1.1 288 364761 3465147 3290139 5-1 18: 204 217 205 159 147 206 129 218 103 191 189 133 160 305 219 148 291 203 0.980 19.91 0.7 96 94 94 99 361 13.6 0.224 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2811 1961.3 2.5 scans 67% 204 m/z 0.65% 0.0468% 1349 1.1 191 153375 1384381 1249729 2-3 18: 204 73 191 205 147 217 206 192 218 189 74 193 133 103 148 291 219 203 0.972 20.41 -10.7 92 92 91 92 217 43.2 5.098 -0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7946 2002.7 2.8 scans 93% TIC 0.24% 0.524% 1398 1.0 592 416261 0.691% 15490128 14309616 20423776 1-13 0.999 20.27 42.5 83 83 94 98 322 41.0 0.478 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1038 C16:0 21.1629 2033.7 3.2 scans 98% 117 m/z 0.026% 3.23% 1433 0.4 1364 3735860 95741841 95725063 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 57 118 328 69 201 74 315 116 269 1.000 20.62 45.4 94 99 99 100 328 156.0 1.309 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6669 2076.0 2.7 scans 80% 305 m/z 0.64% 0.126% 1481 1.0 294 155006 3750082 3636665 2-1 17: 305 217 147 318 191 306 319 265 218 307 432 320 433 219 148 367 192 0.993 21.75 -6.9 97 96 95 97 507 19.3 0.430 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9657 2101.2 2.8 scans 63% 327 m/z 1.4% 0.0459% 1509 1.1 179 68374 1357367 1261290 2-2 9: 327 117 132 145 328 342 329 201 299 0.966 22.33 -31.8 95 97 92 98 342 23.7 1.757 -0.364 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1040 Phytol 22.6244 2158.7 3.3 scans 91% 143 m/z 0.066% 0.457% 1572 1.0 514 1503406 13510056 12608583 5-1 19: 143 73 75 144 123 81 57 55 124 145 95 69 103 82 97 67 83 96 68 0.997 22.08 47.2 81 83 90 97 181 8.7 0.028 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1042 C18:2 23.0568 2196.5 >7 scans 79% 73 m/z (342) 0.12% 1.80% 1613 2.0 709 822901 6.53% 53244282 49763609 193006159 3-0 19: 73 74 132 229 257 155 281 183 218 360 208 391 189 253 216 197 295 59 293 0.980 22.53 45.7 85 92 90 96 352 44.7 0.397 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1915 2208.6 5.2 scans 93% TIC 0.036% 7.38% 1626 0.2 1619 2741164 8.89% 218238655 194592157 262760299 0-9 0.996 23.12 6.8 98 97 98 97 350 116.5 0.518 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1036 C18:0 23.4156 2229.1 2.8 scans 91% 341 m/z 0.093% 0.781% 1647 0.8 745 1074135 23100464 22297888 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 74 201 297 116 1.000 22.89 47.3 93 98 98 99 356 96.3 1.672 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1532 2296.5 3.3 scans 34% 204 m/z 0.77% 0.0379% 1717 0.9 153 129215 0.0458% 1120734 1068289 1353703 1-1 18: 204 205 217 147 337 103 206 219 338 218 361 339 191 243 189 203 221 192 0.642 24.18 -2.6 89 90 70 91 581 0.0 0.000 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1018 myo-Inositol 25.2254 2398.3 3.3 scans 76% TIC 0.42% 0.212% 1819 1.0 353 235641 0.389% 6287792 6253388 11497610 0-1 0.942 25.21 1.5 96 94 92 100 470 24.1 0.468 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6336 2438.7 3.3 scans 53% 91 m/z 0.63% 0.0487% 1858 1.2 164 158017 0.0609% 1439687 1258427 1800011 5-3 18: 91 117 194 207 92 208 65 193 115 312 104 51 118 178 116 63 78 128 0.965 25.61 2.4 97 98 97 97 312 19.5 1.415 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3123 2506.1 3.7 scans 55% TIC 0.51% 0.0741% 1922 0.9 219 194103 0.124% 2190431 1451396 3665048 9-0 0.967 25.86 45.4 86 88 91 99 361 10.5 0.230 0.456 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5680 2532.5 2.9 scans 35% 512 m/z (218) 1.2% 0.0546% 1947 1.0 185 79552 1614922 1614922 0-0 16: 512 455 247 513 456 514 483 263 248 457 497 484 235 264 409 234 0.934 26.57 -0.6 93 96 86 96 512 60.9 10.777 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9468 2571.7 3.1 scans 89% 371 m/z 0.037% 1.42% 1983 0.6 924 2689163 42080658 39492426 11-1 20: 371 372 73 147 57 129 205 203 459 239 373 55 71 103 116 145 75 85 313 117 1.000 26.39 57.1 90 98 97 100 459 118.2 1.644 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1008 Sucrose 27.4276 2622.1 2.9 scans 58% 361 m/z (397) 0.21% 0.255% 2028 1.0 410 458129 7556463 7462108 1-1 10: 361 362 437 363 271 451 438 439 364 452 0.991 27.59 -17.4 96 97 95 99 437 72.1 3.096 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1014 Sucrose 27.4276 2622.1 2.9 scans 57% 361 m/z 0.21% 0.242% 2028 1.0 406 458211 7163069 7073626 1-1 10: 361 362 437 363 271 451 438 439 364 452 0.977 27.49 -6.6 99 98 95 99 437 72.4 3.175 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN LQC1-N1010 Sucrose 27.4287 2622.2 3.6 scans 56% TIC 0.22% 0.195% 2028 1.4 402 443869 0.574% 5778110 4894627 16965626 9-0 0.946 27.58 -16.0 99 98 95 99 437 72.0 3.209 -0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7418 2765.7 2.9 scans 92% 399 m/z 0.057% 0.897% 2153 0.8 765 1734957 26522446 25787113 2-1 20: 399 400 73 147 129 57 205 203 401 487 103 55 71 116 145 75 267 117 85 101 1.000 28.19 61.8 89 98 97 100 487 97.5 1.630 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN SQUALENE-N1017 Squalene STD 29.0954 2805.4 >4 scans 41% TIC 0.97% 0.0157% 2187 1.4 153 102625 0.0328% 465439 465439 969464 0-0 0.960 29.09 0.3 83 84 90 85 410 6.3 0.167 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1034 Nonacosane 29.5194 2853.1 >4 scans 49% TIC 0.99% 0.0225% 2227 1.1 184 100249 0.258% 666692 666692 7625664 0-0 0.983 29.50 1.6 93 93 96 95 408 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8466 2889.9 3.3 scans 52% 57 m/z 0.74% 0.0703% 2258 1.5 205 133761 2080414 1935113 5-3 15: 57 71 85 99 56 113 70 127 84 98 141 140 86 112 72 0.989 29.83 2.2 95 94 98 95 408 11.9 0.336 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4853 2965.2 3.5 scans 76% 57 m/z 0.15% 0.402% 2319 1.0 466 629783 11891700 10628914 8-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 155 0.996 30.46 2.6 94 91 97 100 393 107.7 5.327 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2313 3053.8 3.2 scans 79% 57 m/z 0.13% 0.462% 2390 0.8 519 763897 0.505% 13679946 12914117 14926204 3-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 421 155 394 392 0.990 31.21 2.3 100 99 100 100 393 79.4 2.343 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1048 Hentriacontane 31.5365 3090.1 3.5 scans 77% TIC 0.10% 0.581% 2419 0.8 567 914399 0.693% 17178416 15808536 20482889 3-0 0.959 31.53 0.6 98 99 99 99 436 31.8 0.315 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6996 3109.4 4.2 scans 16% TIC 1.5% 0.00547% 2434 1.4 119 63358 0.157% 161805 142863 4640424 0-1 0.855 31.68 2.8 89 90 82 91 597 16.4 1.917 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8353 3125.6 3.1 scans 82% 502 m/z 0.068% 0.669% 2447 0.9 642 1456791 19785785 19045499 1-1 16: 502 237 503 73 236 504 238 57 277 221 223 239 74 208 505 193 0.979 31.79 5.2 100 99 98 100 502 312.6 23.683 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9616 3140.6 3.6 scans 62% 329 m/z 0.52% 0.399% 2459 1.0 465 189866 11807261 11214825 1-1 16: 329 129 368 458 353 330 95 107 121 119 145 328 105 369 459 159 0.848 31.87 11.2 93 93 91 98 458 65.5 1.983 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1394 3161.7 3.3 scans 77% 57 m/z 0.063% 0.975% 2476 0.7 757 1575357 28821595 28327891 1-1 20: 57 71 85 56 421 55 69 99 83 97 70 422 113 420 127 111 141 84 155 58 0.992 32.11 3.5 97 95 98 99 421 177.1 5.484 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1004 Campesterol 32.8065 3240.9 3.9 scans 51% 343 m/z 0.31% 0.619% 2539 0.7 536 314898 18315624 15507671 4-2 18: 343 129 382 472 367 344 107 95 121 383 145 119 342 105 473 93 159 91 0.919 32.21 70.8 83 95 83 97 472 85.1 2.520 0.596 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1046 Stigmasterol 33.0001 3263.9 3.3 scans 80% 83 m/z (309) 0.21% 0.816% 2558 0.8 688 472619 24147499 24126675 0-1 19: 83 129 55 255 69 484 394 81 75 159 119 133 107 105 93 145 351 95 91 0.997 32.98 2.1 95 95 98 97 665 4.2 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1253 3278.8 3.2 scans 83% 57 m/z 0.059% 1.02% 2570 0.7 787 1673790 30418295 29084252 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.996 33.10 3.4 89 86 97 93 515 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN WTF2-N1034 b-Sitosterol 33.5072 3324.1 3.6 scans 84% 129 m/z 0.14% 1.32% 2606 0.6 857 696067 1.63% 39055968 37912439 48177648 3-3 20: 129 357 396 486 73 381 95 75 107 121 145 358 119 57 397 105 81 356 55 159 0.999 32.88 74.8 85 98 98 99 486 125.1 2.129 0.630 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5904 3334.0 3.7 scans 5.2% 505 m/z 7.3% 0.0171% 2614 1.3 92 13570 0.0309% 507031 507031 913306 0-0 6: 505 491 506 492 507 493 0.831 33.63 -4.1 81 83 53 88 505 30.2 10.669 -0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6114 3336.5 3.6 scans 29% 386 m/z 2.4% 0.116% 2616 1.0 242 41046 0.184% 3444206 3155427 5438458 2-3 6: 386 296 387 371 379 394 0.918 33.58 3.2 88 89 87 94 505 4.6 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9092 3371.9 3.4 scans 6.7% 441 m/z 1.8% 0.0135% 2644 1.0 85 54269 400485 387140 1-1 6: 441 442 646 308 443 647 0.870 33.80 13.5 91 92 65 93 646 16.6 3.777 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4532 3436.5 4.1 scans 9.0% 505 m/z 4.2% 0.0352% 2696 1.2 127 23643 0.0530% 1042592 1042592 1566512 0-0 4: 505 506 507 491 0.809 34.59 -16.1 86 88 71 92 596 0.0 0.000 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4605 3437.4 >5 scans 26% TIC 2.1% 0.0506% 2697 0.3 217 46864 0.477% 1497287 1476931 14098612 4-0 0.938 34.44 3.0 83 82 74 89 543 9.5 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6015 3454.1 4.0 scans 14% 596 m/z 0.61% 0.0768% 2710 1.0 191 163297 2272373 2246823 1-1 13: 596 597 598 316 599 302 318 315 356 300 303 304 286 0.941 34.47 15.4 96 96 87 98 596 104.7 30.052 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN EXBLK5S-N1006 Contamination 6.3678 1048.1 2.1 scans 76% 207 m/z 0.53% 0.0374% 27 1.0 191 186241 1227681 1065964 1-6 17: 207 73 295 208 209 296 191 297 279 189 193 84 177 247 210 192 263 0.995 6.63 -15.2 97 96 88 97 295 59.9 9.860 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1192 Contamination 7.9588 1142.4 2.5 scans 97% 147 m/z 0.067% 0.588% 178 0.8 685 1480869 19320886 18877384 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 100 103 75 149 131 134 236 0.998 7.99 -1.8 98 97 97 98 235 141.4 4.266 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1026 Cadaverine NC 8.1218 1152.0 2.3 scans 45% 174 m/z 4.3% 0.00415% 193 0.8 60 23310 0.0514% 136212 136212 1687123 0-0 8: 174 175 216 86 142 100 176 160 0.993 7.74 22.8 93 94 85 94 216 15.2 6.496 0.386 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1188 Contamination 8.2997 1162.6 2.3 scans 64% 281 m/z 3.0% 0.00933% 210 1.0 91 32529 0.0168% 306469 291544 551433 1-1 11: 281 147 369 282 283 370 265 207 371 249 191 0.951 8.41 -6.8 96 96 79 97 369 26.5 8.480 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1186 Phosphate 8.4943 1174.1 2.2 scans 98% 241 m/z 0.037% 0.497% 229 0.8 670 2686819 16338598 16079158 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 212 257 121 134 1.000 8.56 -3.9 100 99 99 100 299 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1180 Benzoic acid 9.6602 1242.7 3.1 scans 36% 179 m/z 6.8% 0.00506% 340 0.9 51 14638 0.00557% 166139 162825 182826 0-1 5: 179 105 135 194 180 0.967 9.76 -5.8 93 94 85 94 194 8.0 2.401 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN VEN77_S6-N1002 Glycerol 10.0316 1264.4 5.3 scans 97% 299 m/z 0.013% 3.90% 375 0.3 1248 7692419 128257627 127448758 0-1 20: 299 73 300 314 301 147 133 205 283 207 315 211 193 191 103 117 316 135 302 74 1.000 10.09 -3.6 98 96 91 99 299 699.0 31.545 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6534 1300.8 3.0 scans 55% 199 m/z (73) 1.0% 0.0514% 434 0.9 181 99548 1689974 1609758 5-1 19: 199 75 117 145 132 129 131 200 67 74 118 81 61 125 79 201 76 68 53 0.977 10.73 -4.8 94 95 88 98 209 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1168 Glyceric acid 10.9344 1317.7 3.1 scans 59% TIC 4.3% 0.00624% 461 0.7 79 22942 0.0600% 204814 204814 1969405 0-0 0.960 11.05 -7.2 87 85 82 93 292 23.5 8.823 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9891 1321.0 2.7 scans 79% 184 m/z 1.5% 0.0273% 466 0.9 146 66761 0.0310% 898300 878897 1017526 0-1 20: 184 134 285 73 174 77 86 100 286 227 59 185 172 135 175 186 130 110 140 176 0.973 11.06 -4.5 99 98 95 98 285 44.9 9.402 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3626 1343.5 3.7 scans 86% 57 m/z 0.46% 0.0902% 501 0.9 222 217179 0.0943% 2962638 2834540 3095248 3-2 20: 57 115 97 145 127 69 55 56 129 59 111 128 109 58 72 87 83 71 146 98 0.982 11.45 -5.0 98 97 95 99 145 64.9 8.585 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3794 1344.5 2.9 scans 34% 84 m/z 0.93% 0.0242% 503 1.4 130 106818 0.0263% 797021 773026 863256 1-0 18: 84 133 162 161 119 92 118 51 63 134 78 120 163 104 91 52 159 105 0.972 10.96 25.5 91 92 89 94 161 34.9 7.183 0.423 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN TAB_REP6-N1026 Malic acid 13.4481 1472.2 2.6 scans 93% TIC 0.34% 0.103% 700 0.9 274 288042 3385289 3215843 2-0 0.999 13.53 -5.4 98 97 96 97 335 32.8 1.433 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1044 Dodecanol 14.7107 1554.5 2.7 scans 91% TIC 0.39% 0.0716% 820 0.9 233 254419 0.0997% 2351928 2331039 3272494 1-1 0.999 14.24 31.1 97 99 98 99 243 127.1 29.716 0.469 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1754 1654.1 2.9 scans 88% 290 m/z (156) 0.32% 0.0907% 959 1.7 232 310375 2977094 2793492 1-2 14: 290 291 292 392 158 144 131 115 393 100 293 172 130 394 0.973 16.28 -7.0 96 96 93 99 392 31.5 1.846 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 2.7 scans 93% 55 m/z 0.26% 0.200% 993 1.0 364 381663 0.220% 6572625 5670789 7221150 9-4 20: 55 83 69 73 56 97 70 57 84 111 113 82 127 98 68 71 96 140 85 67 0.999 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1010 Glycerol-P 17.4611 1745.6 2.7 scans 97% 357 m/z 0.043% 1.58% 1081 0.7 1089 2312220 51932561 50693262 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 387 256 129 218 328 1.000 16.97 36.1 96 99 99 99 445 172.1 2.499 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1086 Fructofuranose 18.1545 1796.2 3.2 scans 84% 217 m/z 0.56% 0.0829% 1147 1.9 224 178051 0.196% 2723196 2677227 6433388 2-0 20: 217 73 437 147 218 438 219 439 257 74 230 103 215 129 191 133 205 189 291 148 0.993 18.13 1.6 92 90 90 94 437 56.3 6.325 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4165 1816.0 4.0 scans 95% TIC 0.027% 3.55% 1172 0.6 1322 3638802 116802884 110823141 1-2 0.983 17.91 37.8 96 99 98 99 327 125.0 0.895 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1012 Phytol 18.5512 1826.3 3.1 scans 95% 68 m/z 0.072% 1.47% 1185 0.5 974 1390477 1.65% 48389099 44889771 54158627 1-1 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 110 70 1.000 18.04 38.2 94 97 99 99 278 58.2 0.357 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1016 Hexadecene 18.6123 1830.9 3.0 scans 89% TIC 0.30% 0.220% 1190 1.5 368 325312 5.02% 7246125 6445826 164773518 0-4 0.997 18.10 38.5 84 84 92 97 280 54.3 2.178 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6386 1832.9 2.7 scans 55% 285 m/z 1.3% 0.0356% 1193 1.0 163 72898 0.386% 1170389 1041967 12669836 12-1 17: 285 117 132 129 286 145 131 118 201 287 116 300 241 130 61 257 146 0.997 18.73 -6.8 95 95 82 95 300 16.7 1.049 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1076 Pregnane?? 18.7554 1841.8 2.6 scans 84% 345 m/z 0.75% 0.0657% 1204 1.0 230 132266 2157549 2071810 1-1 19: 345 73 147 346 255 347 334 256 148 435 74 133 257 419 239 372 149 243 348 0.992 18.86 -7.9 93 92 86 92 537 13.0 0.322 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1002 Phytol 18.8min 18.8406 1848.3 2.6 scans 93% 81 m/z 0.42% 0.228% 1212 1.1 410 237651 0.232% 7505749 6955427 7615031 1-7 20: 81 82 68 95 123 57 69 55 83 67 79 71 96 124 109 97 110 53 56 111 0.998 18.84 0.0 98 97 99 97 278 47.3 1.328 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1072 Fructose 18.9290 1855.1 2.7 scans 87% 73 m/z 0.30% 0.147% 1221 1.1 325 332556 4855039 4725131 1-1 20: 73 103 307 217 147 308 133 277 218 205 309 74 104 364 189 117 89 148 219 191 0.997 19.03 -7.9 96 95 96 95 364 30.6 0.889 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1070 Fructose 19.0489 1864.2 2.7 scans 78% 73 m/z 0.34% 0.122% 1232 1.2 304 294983 0.368% 4035603 3730710 12079015 5-1 20: 73 103 307 217 147 308 218 277 309 104 205 74 89 262 133 364 117 219 189 148 0.996 19.19 -11.1 93 92 93 92 554 13.9 0.210 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0878 1867.2 2.9 scans 94% 81 m/z 0.22% 0.476% 1236 0.8 567 455908 15636326 15393891 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 97 71 96 124 109 278 111 53 56 0.999 18.58 38.8 93 96 98 99 278 76.4 1.812 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1068 Galactopyranose 19.1994 1875.7 2.7 scans 75% 204 m/z 0.50% 0.0518% 1246 1.3 207 199853 0.185% 1703222 1698497 6072331 1-0 18: 204 73 191 205 147 217 206 192 129 218 193 189 74 117 148 219 305 203 0.997 19.32 -8.8 94 93 93 94 435 13.0 0.396 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN BRA4_R~2-N1004 Galactose 19.2499 1879.5 2.8 scans 77% 73 m/z (71) 0.59% 0.0835% 1251 0.9 240 167973 0.230% 2742488 2563206 7549384 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 229 74 133 161 189 148 207 157 89 0.993 19.36 -8.6 93 93 92 96 364 15.2 0.399 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1064 Mannose 19.2499 1879.5 2.8 scans 78% 73 m/z 0.60% 0.0777% 1251 0.9 240 166361 0.214% 2551158 2384384 7024210 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 229 74 133 161 189 148 207 157 89 0.991 19.45 -15.7 94 93 92 94 319 89.8 14.017 -0.205 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9033 1931.0 2.8 scans 88% TIC 0.23% 0.157% 1313 1.3 311 421400 0.192% 5157750 4351691 6302095 1-2 0.999 19.91 -0.7 96 93 95 99 361 15.0 0.232 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2653 1960.1 2.7 scans 82% 204 m/z 0.34% 0.0929% 1348 1.0 260 289486 3051305 2862952 2-3 20: 204 73 191 147 205 217 206 192 218 193 74 103 129 189 133 219 117 148 305 435 0.992 20.41 -11.9 96 95 95 95 217 59.0 5.156 -0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7787 2001.4 2.9 scans 93% TIC 0.23% 0.512% 1396 1.1 584 430783 0.575% 16835316 15866338 18873461 0-5 0.994 20.27 41.2 83 83 94 97 322 40.0 0.469 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1038 C16:0 21.1502 2032.6 3.4 scans 97% 313 m/z 0.025% 3.15% 1432 0.4 1342 4007417 103554077 99080692 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 69 315 74 285 269 1.000 20.62 44.3 94 99 99 100 328 156.5 1.360 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6500 2074.6 2.8 scans 80% 305 m/z (79) 0.78% 0.0885% 1479 1.1 252 127560 2905238 2901573 1-0 17: 305 217 147 318 191 306 319 265 218 307 320 432 367 433 219 291 192 0.985 21.75 -8.3 95 96 93 96 507 16.3 0.419 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9530 2100.1 3.2 scans 68% TIC 1.4% 0.0528% 1508 0.7 185 69172 0.148% 1733390 1603086 4857865 3-1 0.940 22.33 -32.9 94 97 93 98 342 22.9 1.536 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1687 2118.9 3.1 scans 19% 396 m/z 6.2% 0.00693% 1528 1.3 66 16010 0.00844% 227645 216655 277030 1-0 8: 396 219 397 381 398 220 307 382 0.767 22.19 -1.6 86 86 68 88 396 31.9 23.241 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1040 Phytol 22.6075 2157.2 3.2 scans 93% TIC 0.053% 0.568% 1570 1.1 562 1866355 18647505 15402545 6-13 0.996 22.08 45.7 80 82 89 96 181 8.9 0.025 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1042 C18:2 23.0420 2195.2 >7 scans 81% 73 m/z (342) 0.098% 1.62% 1611 1.9 741 1023227 6.25% 53412814 49937124 205146313 4-0 20: 73 133 74 213 229 132 156 257 192 155 193 153 169 218 195 197 396 269 127 470 0.978 22.53 44.4 86 93 92 97 352 44.1 0.353 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1809 2207.7 5.5 scans 92% 79 m/z 0.034% 7.59% 1625 0.2 1612 2909833 8.31% 249457094 227154611 272762538 0-9 20: 79 75 73 95 93 67 108 80 91 81 335 107 129 94 55 121 149 77 135 117 0.994 23.12 5.9 96 95 98 95 350 114.4 0.503 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1036 C18:0 23.4029 2228.0 2.7 scans 90% 341 m/z 0.089% 0.729% 1646 0.7 736 1121254 0.732% 23930133 23075655 24026736 2-1 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 201 74 343 116 297 0.999 22.89 46.2 93 98 98 99 356 95.1 1.670 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7080 2255.9 2.9 scans 30% 163 m/z 0.54% 0.0474% 1675 1.1 180 182961 0.0532% 1556877 1424213 1746205 2-13 8: 163 331 164 165 332 88 90 313 0.842 23.72 -1.0 93 94 82 95 331 41.6 5.375 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1384 2295.2 3.4 scans 28% 204 m/z 0.65% 0.0395% 1716 0.8 159 152521 0.0506% 1298817 1183147 1660865 0-1 18: 204 217 337 205 147 103 206 219 338 218 191 361 339 101 189 203 243 362 0.692 24.18 -3.9 89 91 70 92 581 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1384 2295.2 3.4 scans 27% 204 m/z (333) 0.64% 0.0435% 1716 0.8 157 155256 0.0558% 1429896 1302552 1831546 0-1 18: 204 217 337 205 147 103 206 219 338 218 191 361 339 101 189 203 243 362 0.883 24.01 11.7 88 90 71 92 490 0.0 0.000 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1018 myo-Inositol 25.2064 2396.5 3.8 scans 66% TIC 0.58% 0.137% 1817 1.1 278 170282 0.271% 4527666 4527666 8895144 0-0 0.895 25.21 -0.3 97 96 92 99 470 19.1 0.471 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6188 2437.2 3.5 scans 44% 91 m/z 0.67% 0.0438% 1856 1.3 153 148855 1440270 1268382 2-7 14: 91 117 194 207 92 115 312 208 65 193 104 51 118 89 0.974 25.61 0.9 97 97 96 97 312 19.1 1.559 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2975 2504.6 3.1 scans 45% 204 m/z 0.51% 0.0833% 1921 1.0 210 196771 2734992 1804863 21-0 7: 204 217 205 219 206 218 220 0.954 25.86 43.9 85 89 91 98 361 9.5 0.000 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5521 2530.9 5.8 scans 57% TIC 0.34% 0.139% 1945 1.6 336 290934 0.471% 4577082 4577082 15459826 0-0 0.971 26.57 -2.2 98 98 90 98 512 107.0 10.146 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9246 2569.4 2.9 scans 83% TIC 0.049% 0.816% 1980 0.8 788 2021428 0.954% 26799578 25722331 31313533 6-3 0.999 26.39 54.8 90 97 97 99 459 99.9 1.611 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1010 Sucrose 27.4107 2620.2 2.9 scans 42% 361 m/z (397) 0.35% 0.159% 2027 1.0 310 286649 5251563 4610109 0-20 10: 361 362 437 363 271 451 438 439 364 452 0.963 27.58 -18.0 95 96 93 98 437 56.4 3.324 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN LQC1-N1008 Sucrose 27.4107 2620.2 2.9 scans 40% 361 m/z 0.35% 0.143% 2027 1.0 303 286507 4695391 4121871 0-20 10: 361 362 437 363 271 451 438 439 364 452 0.944 27.59 -19.3 97 96 90 98 437 56.5 3.465 -0.180 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7218 2763.4 2.7 scans 86% 399 m/z 0.084% 0.507% 2151 0.9 616 1190055 16655670 15448206 1-1 20: 399 400 73 147 129 57 205 203 103 487 55 401 71 116 145 75 117 101 133 267 0.998 28.19 59.5 89 98 98 100 487 80.1 1.690 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN SQUALENE-N1017 Squalene STD 29.0763 2803.3 3.2 scans 43% TIC 0.76% 0.0183% 2185 1.2 173 131180 0.0741% 602667 602667 2432215 0-0 0.970 29.09 -1.8 85 84 92 88 410 7.2 0.171 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1034 Nonacosane 29.4993 2850.9 >3 scans 46% TIC 0.92% 0.0208% 2225 1.8 187 108718 0.266% 685458 685458 8731027 0-0 0.986 29.50 -0.6 94 93 97 95 408 2.9 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8276 2887.8 3.0 scans 51% 57 m/z 0.66% 0.0702% 2256 1.1 214 150846 2304786 1924432 6-8 15: 57 71 85 99 113 56 70 127 84 141 98 112 86 126 72 0.981 29.83 0.1 94 93 98 96 408 13.9 0.418 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4652 2962.9 3.1 scans 74% 57 m/z 0.16% 0.319% 2317 0.9 455 617758 10474725 9750122 8-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 394 113 127 111 175 141 84 58 0.989 30.46 0.3 93 88 95 100 393 104.1 5.239 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2123 3051.6 3.0 scans 79% 57 m/z 0.11% 0.450% 2388 0.9 555 899688 14782263 13309780 4-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 155 394 392 0.992 31.21 0.1 99 97 99 100 393 85.7 2.385 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1048 Hentriacontane 31.5185 3087.9 3.1 scans 73% 57 m/z 0.10% 0.492% 2417 0.8 574 998067 16174933 15767156 2-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 82 0.998 31.53 -1.6 99 98 100 99 436 34.1 0.353 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6784 3106.9 7.6 scans 21% 204 m/z 1.0% 0.0204% 2432 1.4 146 98955 0.211% 670932 655260 6925740 0-3 15: 204 597 205 217 337 73 598 361 206 103 599 129 339 338 191 0.911 31.68 0.3 90 92 85 91 597 18.6 1.624 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8205 3123.8 2.9 scans 82% 502 m/z 0.051% 0.732% 2446 0.7 718 1967952 24052203 23832451 1-0 16: 502 237 503 73 236 238 504 57 277 221 223 208 239 74 505 193 0.976 31.79 3.4 100 99 98 100 502 353.6 24.298 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9436 3138.4 3.4 scans 57% 329 m/z 0.53% 0.332% 2457 0.9 457 189319 10901029 10856732 0-1 17: 329 129 368 458 353 330 107 119 145 328 105 121 369 91 93 459 159 0.808 31.87 9.0 92 92 90 97 458 64.5 1.992 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1193 3159.3 3.4 scans 76% TIC 0.065% 0.791% 2474 0.8 737 1533468 1.40% 25988361 24675754 45952774 2-0 0.994 32.11 1.1 97 94 98 99 421 173.2 5.524 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1004 Campesterol 32.7832 3238.2 3.5 scans 51% 343 m/z (57) 0.31% 0.519% 2537 0.9 528 318579 17047212 15960134 1-1 16: 343 129 382 472 367 344 383 121 107 342 119 105 145 159 255 473 0.951 32.21 68.1 82 95 84 97 472 83.4 2.496 0.573 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1046 Stigmasterol 32.9779 3261.3 3.0 scans 72% 83 m/z (309) 0.24% 0.625% 2556 0.7 627 404993 20536684 19126738 1-1 19: 83 129 255 55 394 484 69 81 75 159 133 119 145 105 107 351 93 95 355 0.996 32.98 -0.5 95 96 98 98 665 4.6 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1063 3276.5 3.4 scans 80% 57 m/z 0.058% 1.01% 2568 0.7 789 1724219 33224441 32189323 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.994 33.10 1.1 87 83 96 94 515 11.9 0.023 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN WTF2-N1034 b-Sitosterol 33.4840 3321.4 3.4 scans 79% 129 m/z 0.16% 1.01% 2604 0.6 791 616276 1.07% 33255698 31088930 35121049 1-5 19: 129 357 396 486 381 95 75 397 119 107 121 145 358 57 81 105 356 55 159 0.999 32.88 72.1 86 98 98 99 486 116.4 2.163 0.607 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5892 3333.9 3.4 scans 29% 386 m/z 2.4% 0.0962% 2614 1.1 240 40422 3158978 2899574 2-2 6: 386 296 387 281 371 394 0.956 33.58 0.6 88 87 89 94 505 3.2 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8859 3369.1 3.3 scans 11% 441 m/z 0.97% 0.0249% 2642 1.0 122 102878 817433 791326 1-1 7: 441 442 646 308 443 647 427 0.901 33.80 10.7 93 94 72 95 646 23.2 3.596 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5762 3451.1 3.9 scans 24% 596 m/z 0.62% 0.0661% 2708 1.0 185 160767 2171815 2107370 1-1 17: 596 597 598 331 316 302 599 315 356 318 303 370 330 300 280 301 343 0.913 34.47 12.4 97 97 87 98 596 101.1 29.777 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN EXBLK5S-N1006 Contamination 6.3627 1047.8 2.0 scans 78% 207 m/z 0.51% 0.0426% 26 1.4 195 196235 1195287 1161912 0-2 16: 207 73 295 208 209 296 191 297 74 279 193 189 210 177 192 247 0.996 6.63 -15.5 98 97 88 97 295 60.1 9.452 -0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1192 Contamination 7.9578 1142.3 2.6 scans 96% 73 m/z (165) 0.087% 0.574% 178 0.7 599 1145235 16112517 15591629 2-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 100 160 103 149 75 131 134 236 1.000 7.99 -1.9 96 97 98 98 235 123.9 4.270 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1026 Cadaverine NC 8.1188 1151.9 2.3 scans 73% 174 m/z 1.5% 0.0143% 193 1.1 103 66551 0.0958% 401942 376944 2687524 2-1 12: 174 175 216 142 86 176 100 160 59 130 217 131 0.990 7.74 22.7 95 94 90 96 216 25.4 6.130 0.383 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1188 Contamination 8.2977 1162.5 2.2 scans 50% 281 m/z 3.9% 0.00698% 210 1.0 75 25679 196031 196031 1-0 10: 281 369 282 283 370 207 265 371 249 191 0.768 8.41 -6.9 96 96 91 96 369 25.3 11.364 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1186 Phosphate 8.4934 1174.1 2.2 scans 98% 241 m/z 0.043% 0.501% 229 0.9 621 2304727 14057267 13742638 1-0 20: 241 242 133 211 163 73 256 243 195 135 98 59 89 147 119 137 121 134 257 181 1.000 8.56 -3.9 100 99 99 100 299 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN VEN77_S6-N1002 Glycerol 10.0275 1264.2 4.9 scans 98% 299 m/z 0.013% 3.97% 375 0.4 1210 7326091 111619394 111619394 0-0 20: 299 73 300 314 133 147 283 205 207 211 193 191 103 135 117 74 75 225 218 59 1.000 10.09 -3.8 98 96 92 99 299 683.5 32.094 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6536 1300.8 3.1 scans 54% 199 m/z (69) 1.1% 0.0632% 434 0.9 183 90983 0.0636% 1775325 1659508 1784202 9-1 19: 199 75 117 73 145 129 200 132 131 67 61 81 118 79 53 76 201 72 95 0.970 10.73 -4.8 95 97 92 99 209 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1168 Glyceric acid 10.9345 1317.7 2.7 scans 62% 147 m/z 4.3% 0.0107% 461 1.0 82 23098 0.0125% 301358 264038 350669 5-0 13: 147 189 73 292 205 103 133 293 102 190 307 149 117 0.973 11.05 -7.2 89 88 84 93 292 24.2 8.760 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9881 1321.0 2.6 scans 59% 184 m/z 3.9% 0.0116% 466 1.1 86 25428 0.0119% 326342 311126 333836 4-0 13: 184 134 285 174 86 77 100 286 172 185 59 227 186 0.995 11.06 -4.5 93 93 87 93 285 27.1 9.977 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3617 1343.4 3.8 scans 90% 57 m/z 0.47% 0.106% 501 0.7 219 210570 2994672 2911467 2-1 20: 57 97 115 145 127 69 55 129 56 59 111 109 128 58 72 83 87 98 146 116 0.995 11.45 -5.1 99 98 97 99 145 63.8 8.453 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN TAB_REP6-N1026 Malic acid 13.4482 1472.2 2.6 scans 93% TIC 0.29% 0.141% 700 0.9 300 345397 3978992 3865657 2-1 0.990 13.53 -5.4 98 97 96 97 335 35.5 1.395 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1146 Malic acid 13.4482 1472.2 2.5 scans 93% 73 m/z 0.29% 0.135% 700 1.1 301 344447 3793991 3762072 2-0 20: 73 147 233 245 133 189 190 148 74 75 175 191 335 101 234 149 55 217 265 117 1.000 13.62 -10.6 98 97 96 97 350 0.0 0.000 -0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5561 1544.2 2.5 scans 44% 292 m/z 4.1% 0.00868% 805 0.9 79 24270 243519 243519 0-0 7: 292 220 205 293 217 103 148 0.905 14.62 -4.4 84 83 73 87 409 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1044 Dodecanol 14.7119 1554.6 2.7 scans 92% TIC 0.41% 0.0850% 820 0.8 230 241192 0.110% 2386934 2350831 3085883 2-1 0.997 14.24 31.2 97 99 98 99 243 124.0 29.102 0.470 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 14.8644 1564.7 2.7 scans 67% TIC 1.4% 0.0136% 834 0.9 97 67268 383098 376116 1-0 0.895 15.44 -38.3 80 84 80 86 393 0.0 0.000 -0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1755 1654.1 2.9 scans 83% 290 m/z 0.30% 0.105% 959 2.1 225 330389 2949862 2642567 1-4 16: 290 73 291 292 158 392 144 131 59 393 115 293 100 172 160 174 0.967 16.28 -7.0 98 97 94 99 392 33.1 2.159 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5311 1678.8 2.7 scans 93% 55 m/z 0.28% 0.216% 993 1.0 349 352222 0.237% 6069211 5253372 6648675 9-4 19: 55 73 83 69 70 97 56 57 84 111 82 127 98 113 68 140 54 96 112 0.999 16.63 -6.6 99 98 99 98 210 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1010 Glycerol-P 17.4602 1745.5 2.7 scans 97% 357 m/z 0.043% 1.82% 1081 0.7 1088 2301938 51154548 50068488 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 103 101 301 387 133 129 256 218 328 1.000 16.97 36.0 96 99 99 99 445 174.7 2.579 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1086 Fructofuranose 18.0442 1788.1 3.3 scans 74% 217 m/z 1.0% 0.0512% 1137 1.8 164 92669 1438460 1426204 3-1 18: 217 73 437 438 439 219 257 230 74 303 440 319 221 72 435 293 89 258 0.947 18.13 -6.5 90 89 87 91 437 40.3 6.054 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4146 1815.8 3.9 scans 88% 73 m/z 0.028% 3.55% 1172 0.5 1240 3465703 99699695 96477637 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 58 78 133 77 66 75 90 121 0.935 17.91 37.6 95 99 93 99 327 121.9 0.968 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1012 Phytol 18.5461 1825.9 3.1 scans 97% 68 m/z 0.081% 1.51% 1184 0.7 922 1236804 1.70% 42589602 41478751 47690921 1-1 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 110 70 1.000 18.04 37.8 94 97 99 99 278 55.1 0.357 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1016 Hexadecene 18.6103 1830.8 2.7 scans 87% 70 m/z 0.34% 0.192% 1190 1.1 344 294201 1.02% 5396833 5159717 28614553 0-1 18: 70 69 57 55 71 83 111 56 125 126 97 280 84 85 140 67 112 98 0.985 18.10 38.4 86 86 94 97 280 52.7 2.345 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.6 scans 59% 285 m/z 1.4% 0.0389% 1193 0.9 160 69597 1091321 1009899 8-1 14: 285 117 132 129 286 145 118 300 201 116 130 241 61 257 0.997 18.73 -6.9 95 95 82 95 300 16.7 1.083 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1076 Pregnane?? 18.7555 1841.8 2.6 scans 80% 345 m/z 1.1% 0.0507% 1204 1.1 188 87865 1424129 1359095 1-1 19: 345 73 255 346 147 347 334 256 435 74 419 148 133 348 257 537 372 149 239 0.995 18.86 -7.9 89 89 81 89 537 10.5 0.309 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1002 Phytol 18.8min 18.8396 1848.3 2.7 scans 92% 81 m/z 0.50% 0.230% 1212 1.0 375 197447 6459273 5766983 1-12 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 278 110 56 0.998 18.84 -0.0 98 97 99 97 278 44.9 1.429 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1072 Fructose 18.9301 1855.2 2.7 scans 84% 73 m/z 0.49% 0.103% 1221 1.0 253 201339 2907832 2763409 8-0 20: 73 103 307 217 147 308 277 218 133 309 74 205 104 189 364 89 117 148 172 219 0.995 19.03 -7.8 94 93 94 93 364 24.4 0.930 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1070 Fructose 19.0490 1864.2 2.8 scans 77% 73 m/z (81) 0.56% 0.102% 1232 1.4 240 177123 0.309% 2865658 2693206 8668526 4-1 20: 73 103 307 217 147 308 277 218 309 89 104 205 262 74 364 219 133 189 148 117 0.978 19.19 -11.1 89 91 91 91 554 10.8 0.200 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0859 1867.0 3.0 scans 92% 81 m/z 0.26% 0.476% 1235 0.8 520 381234 13364158 13205356 1-0 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 53 111 56 0.999 18.58 38.6 93 95 98 99 278 71.4 1.882 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1068 Galactopyranose 19.2006 1875.8 2.8 scans 65% 204 m/z 0.91% 0.0322% 1246 1.2 148 109473 0.100% 905713 901539 2805348 1-0 16: 204 191 205 147 217 192 206 129 193 331 218 203 148 291 219 305 0.987 19.32 -8.7 90 90 90 90 435 9.4 0.405 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1064 Mannose 19.2500 1879.6 2.9 scans 77% TIC 0.81% 0.0622% 1251 1.0 207 123074 0.607% 1745300 1711065 17028464 0-1 0.994 19.45 -15.6 94 93 91 93 319 76.3 13.633 -0.205 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9045 1931.1 2.7 scans 81% 204 m/z 0.25% 0.138% 1313 1.1 291 393788 3897788 3523455 3-2 17: 204 159 217 205 147 206 129 218 117 103 133 191 189 160 148 219 305 0.989 19.91 -0.6 96 94 94 99 361 14.1 0.235 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2664 1960.2 2.7 scans 74% 204 m/z 0.57% 0.0645% 1348 1.1 200 173858 1811942 1665386 2-4 18: 204 73 191 205 147 217 192 206 218 193 189 103 74 133 219 148 291 305 0.991 20.41 -11.8 93 93 92 93 217 45.6 5.206 -0.148 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7810 2001.6 3.1 scans 94% TIC 0.24% 0.582% 1397 0.9 570 404196 0.740% 16347079 16202107 20759577 0-3 0.999 20.27 41.4 83 82 94 98 322 38.5 0.457 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1038 C16:0 21.1503 2032.6 3.5 scans 97% 313 m/z 0.025% 3.61% 1432 0.4 1332 3928101 101464522 97295141 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 315 69 269 74 285 1.000 20.62 44.3 94 99 99 100 328 154.7 1.351 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6501 2074.6 2.9 scans 51% 305 m/z 1.9% 0.0374% 1479 1.0 151 51710 1050012 1034353 3-0 18: 305 217 318 147 191 306 265 319 218 432 307 320 433 367 192 291 219 266 0.991 21.75 -8.3 92 92 78 92 507 10.9 0.519 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9510 2099.9 3.0 scans 67% 327 m/z 1.1% 0.0660% 1508 1.1 197 85220 1852785 1754349 2-2 14: 327 117 132 129 145 328 342 118 329 201 299 116 146 283 0.983 22.33 -33.1 95 97 94 98 342 26.4 1.796 -0.379 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1040 Phytol 22.6128 2157.7 3.1 scans 93% 143 m/z 0.036% 0.842% 1571 0.9 678 2724366 23624160 22107033 4-1 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 83 97 82 67 74 96 0.998 22.08 46.2 80 82 89 97 181 10.2 0.023 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1042 C18:2 23.0400 2195.0 >7 scans 77% 73 m/z (342) 0.10% 1.54% 1611 1.8 679 915974 6.27% 43400419 39584575 175895338 4-0 20: 73 133 74 132 229 156 192 257 241 143 142 155 218 153 169 127 113 183 281 226 0.975 22.53 44.2 86 93 93 97 352 40.3 0.352 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1726 2206.9 5.7 scans 93% 75 m/z 0.036% 7.82% 1624 0.3 1564 2727800 9.23% 219403302 214709131 258933648 0-2 20: 75 79 73 95 67 93 108 81 80 129 91 55 107 94 117 121 77 135 149 145 0.996 23.12 5.1 98 97 99 97 350 109.9 0.494 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1036 C18:0 23.4030 2228.0 2.7 scans 91% 341 m/z 0.084% 0.919% 1646 0.7 758 1191578 0.925% 25791928 24415558 25949472 3-1 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 69 343 201 74 297 83 0.998 22.89 46.2 93 98 98 99 356 98.9 1.705 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7082 2255.9 2.8 scans 30% 163 m/z 0.59% 0.0523% 1675 1.0 174 167206 1468987 1349901 2-10 8: 163 331 164 165 332 88 90 60 0.840 23.72 -1.0 94 94 82 96 331 40.5 5.422 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1354 2294.9 3.4 scans 40% 204 m/z (333) 0.68% 0.0500% 1715 1.0 158 145435 0.0681% 1404519 1386238 1910442 0-6 17: 204 205 217 337 147 103 206 338 218 361 191 339 203 221 362 231 319 0.982 24.01 11.4 88 89 82 91 490 0.0 0.000 0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1354 2294.9 3.4 scans 38% 204 m/z 0.70% 0.0436% 1715 1.0 154 142634 0.0593% 1223393 1207470 1663572 0-6 17: 204 205 217 337 147 103 206 338 218 361 191 339 203 221 362 231 319 0.708 24.18 -4.2 89 91 70 90 581 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2679 2307.3 >4 scans 30% TIC 1.1% 0.00588% 1728 1.1 102 85160 0.108% 164957 164957 3029776 0-0 0.890 24.23 3.5 83 82 78 86 362 5.1 0.000 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1018 myo-Inositol 25.2086 2396.7 5.9 scans 50% TIC 1.2% 0.0753% 1817 1.1 185 80761 0.191% 2113891 2113891 5358215 0-0 0.880 25.21 -0.1 96 96 90 97 470 12.4 0.451 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6200 2437.3 3.3 scans 50% 91 m/z 0.61% 0.0525% 1856 1.3 160 161881 0.0658% 1473606 1367692 1845919 4-3 14: 91 117 194 207 92 115 193 65 312 104 118 51 128 102 0.975 25.61 1.0 98 98 96 97 312 19.8 1.534 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2976 2504.6 3.0 scans 50% 204 m/z 0.51% 0.0916% 1921 1.0 210 194456 2571427 1769155 21-0 8: 204 217 205 219 206 218 101 305 0.968 25.86 43.9 85 87 91 99 361 11.1 0.279 0.442 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5522 2530.9 2.8 scans 60% 512 m/z (218) 0.40% 0.185% 1945 0.9 334 246618 5209491 4851185 1-1 15: 512 455 247 513 456 483 514 248 263 207 349 457 497 423 484 0.979 26.57 -2.2 97 98 94 99 512 108.6 10.564 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9289 2569.8 2.6 scans 90% 371 m/z 0.034% 1.34% 1981 0.7 949 2895377 37787660 36729251 2-0 20: 371 372 73 147 129 205 203 57 239 373 459 103 71 55 145 116 117 101 313 75 1.000 26.39 55.2 90 97 97 100 459 121.2 1.635 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1014 Sucrose 27.4108 2620.3 2.9 scans 47% 361 m/z 0.34% 0.159% 2027 0.9 302 286826 4470292 4088203 0-20 11: 361 362 437 363 271 451 438 439 364 452 272 0.954 27.49 -8.4 99 98 91 98 437 56.6 3.513 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN LQC1-N1008 Sucrose 27.4119 2620.4 4.1 scans 46% TIC 0.35% 0.0967% 2027 1.3 299 280138 0.377% 2714591 2714591 10576163 0-0 0.886 27.59 -19.1 98 98 88 98 437 55.6 3.444 -0.179 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7240 2763.7 2.9 scans 92% 399 m/z 0.064% 0.850% 2151 0.8 708 1564796 23871792 23728661 1-0 20: 399 400 73 147 129 57 205 203 401 103 487 55 71 116 145 75 117 267 101 85 1.000 28.19 59.8 89 98 97 100 487 91.1 1.658 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN SQUALENE-N1017 Squalene STD 29.0775 2803.4 3.1 scans 46% TIC 0.75% 0.0227% 2185 1.2 173 133171 0.0700% 638850 626338 1963744 1-0 0.970 29.09 -1.7 88 88 93 88 410 7.2 0.176 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1034 Nonacosane 29.5037 2851.4 3.2 scans 25% 57 m/z 2.0% 0.0189% 2226 0.8 116 47803 0.0258% 531297 518525 723780 0-3 13: 57 71 85 365 56 99 366 70 127 113 364 393 86 0.947 29.50 -0.1 86 88 90 88 408 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8267 2887.7 3.0 scans 45% 57 m/z 0.95% 0.0508% 2256 1.5 177 104707 0.0536% 1426225 1182236 1503667 7-0 17: 57 71 85 55 99 56 70 113 127 84 98 86 58 141 140 72 155 0.980 29.83 0.0 92 92 97 93 408 11.5 0.423 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4212 2957.6 3.0 scans 55% 193 m/z (57 204) 0.78% 0.142% 2313 1.0 278 128180 4010627 3854113 1-2 12: 193 119 105 163 120 91 176 194 171 325 247 516 0.980 30.36 7.5 83 85 91 89 529 12.5 0.203 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4664 2963.0 3.2 scans 79% 57 m/z 0.14% 0.400% 2317 0.9 470 688082 11230709 10669861 8-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 394 113 127 111 84 141 58 365 0.996 30.46 0.4 98 96 99 100 393 111.3 5.596 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2093 3051.2 3.1 scans 70% 57 m/z 0.20% 0.293% 2388 0.9 405 489728 0.324% 8223887 7141545 9089328 3-3 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 141 84 421 155 394 392 0.987 31.21 -0.3 99 98 99 99 393 62.0 2.343 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1048 Hentriacontane 31.5155 3087.6 3.0 scans 72% 57 m/z 0.14% 0.389% 2417 0.9 477 690649 10930954 10194230 2-5 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 86 58 0.998 31.53 -1.9 99 99 99 99 436 27.8 0.340 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6807 3107.2 3.9 scans 21% 204 m/z 1.2% 0.0186% 2432 1.2 132 82151 0.129% 521956 511486 3618899 0-1 13: 204 205 73 217 337 103 597 206 129 361 598 338 191 0.923 31.68 0.6 90 91 85 90 597 17.0 1.667 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8143 3123.1 2.9 scans 79% 502 m/z 0.087% 0.482% 2445 0.9 547 1144292 13543579 13537309 0-1 15: 502 237 503 73 236 504 238 277 221 223 208 74 239 505 193 0.992 31.79 2.7 100 99 98 100 502 270.1 24.380 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9427 3138.3 3.3 scans 69% 329 m/z 0.43% 0.452% 2457 0.9 496 228651 12683266 12643235 0-1 17: 329 129 368 458 353 95 330 107 119 121 328 145 105 369 93 91 247 0.926 31.87 8.9 94 93 93 98 458 71.3 2.063 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1278 3160.3 3.4 scans 83% TIC 0.049% 1.40% 2475 0.7 852 2024501 1.82% 39516868 34923088 51057339 7-0 0.998 32.11 2.1 97 95 98 99 421 203.2 5.699 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1004 Campesterol 32.7886 3238.8 3.5 scans 53% 343 m/z 0.26% 0.687% 2538 0.7 580 381722 19296521 17046930 3-1 17: 343 129 382 472 367 95 121 344 107 105 119 145 383 342 159 91 93 0.919 32.21 68.7 84 95 83 97 472 92.1 2.519 0.579 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1046 Stigmasterol 32.9833 3261.9 3.2 scans 79% 83 m/z 0.19% 0.913% 2556 0.7 720 520181 25613871 23917497 1-1 20: 83 129 55 255 484 394 69 81 73 133 75 159 119 145 105 351 93 107 355 97 0.992 32.98 0.1 96 94 98 97 665 17.0 0.056 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1022 3276.0 3.2 scans 74% 57 m/z 0.082% 0.796% 2568 0.7 661 1215455 22340708 21703182 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 58 126 0.991 33.10 0.6 83 78 95 93 515 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN WTF2-N1034 b-Sitosterol 33.4873 3321.8 3.4 scans 85% TIC 0.14% 1.26% 2604 0.6 841 698153 1.43% 35447565 34853285 40116481 1-3 0.999 32.88 72.5 86 98 98 99 486 123.2 2.145 0.610 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5914 3334.1 3.4 scans 34% 386 m/z 2.3% 0.110% 2614 1.0 243 42053 3104096 2885799 1-1 9: 386 296 387 281 257 379 394 371 215 0.959 33.58 0.8 88 88 90 93 505 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8871 3369.3 3.3 scans 17% 441 m/z 0.72% 0.0419% 2642 1.0 146 138973 1177016 1149070 0-2 9: 441 442 308 646 443 647 427 329 425 0.810 33.80 10.9 95 96 75 96 646 27.8 3.623 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N521_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5784 3451.4 3.7 scans 29% 596 m/z 0.56% 0.0849% 2708 0.9 199 176962 2382726 2344465 1-2 15: 596 597 598 316 331 302 599 356 318 315 303 357 330 301 288 0.936 34.47 12.7 97 96 89 99 596 106.2 28.519 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN EXBLK5S-N1006 Contamination 6.3731 1048.4 2.1 scans 63% 207 m/z 1.2% 0.0231% 27 1.2 137 77042 0.0254% 491791 490434 538485 1-0 13: 207 295 208 209 296 191 71 84 297 193 279 85 189 0.935 6.63 -14.9 95 94 82 95 295 41.7 9.327 -0.252 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1192 Contamination 7.9756 1143.4 2.6 scans 98% 73 m/z 0.10% 0.635% 180 0.8 605 970303 13470093 13408866 2-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 160 75 100 103 149 131 134 236 0.997 7.99 -0.8 99 98 97 98 235 121.5 4.029 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1026 Cadaverine NC 8.1303 1152.5 2.2 scans 40% 174 m/z 9.6% 0.00243% 194 1.2 42 10375 51695 51695 1-0 3: 174 142 175 0.990 7.74 23.3 88 90 82 90 216 9.4 4.949 0.394 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1188 Contamination 8.3134 1163.4 2.5 scans 62% 281 m/z 5.0% 0.0120% 212 1.6 85 19916 256187 245542 0-4 11: 281 147 369 282 283 370 207 265 371 249 149 0.962 8.41 -6.0 92 92 70 95 369 25.2 8.903 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1186 Phosphate 8.5080 1174.9 2.3 scans 98% 241 m/z 0.036% 0.853% 230 1.0 773 2773018 18094415 17702495 1-0 20: 241 242 133 73 211 163 256 243 135 195 59 98 89 147 119 75 137 134 121 181 1.000 8.56 -3.1 100 99 99 100 299 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1180 Benzoic acid 9.6718 1243.3 2.9 scans 61% 179 m/z 7.2% 0.00685% 341 0.5 57 13711 145273 145273 1-0 6: 179 105 135 180 51 194 0.925 9.76 -5.2 94 95 85 95 194 9.4 2.717 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN VEN77_S6-N1002 Glycerol 10.0306 1264.3 4.3 scans 97% 299 m/z 0.019% 3.23% 375 0.5 1126 5047074 68622610 67937259 0-1 20: 299 73 300 314 301 133 207 283 315 211 193 191 316 302 135 74 75 225 131 59 1.000 10.09 -3.7 97 95 89 99 299 633.6 31.828 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LACTIC~1-N1034 Glycerol 10.0390 1264.8 4.4 scans 11% 147 m/z (299) 0.25% 0.332% 376 0.4 359 397716 7042560 7042560 0-0 20: 147 205 117 103 218 206 204 129 219 101 203 293 118 175 217 220 143 130 294 99 0.700 10.11 -4.2 88 95 59 93 293 28.5 0.633 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6640 1301.4 3.0 scans 89% 199 m/z 1.2% 0.0873% 435 0.9 219 81740 1851725 1824623 1-1 20: 199 75 73 117 145 129 132 131 200 118 74 61 76 67 81 79 201 155 72 116 0.971 10.73 -4.2 95 92 84 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9954 1321.4 2.6 scans 75% 184 m/z 3.0% 0.0225% 467 0.9 114 32619 478568 405758 6-1 20: 184 134 285 73 174 77 86 100 286 227 185 59 172 135 186 175 130 178 110 74 0.995 11.06 -4.1 97 96 91 96 285 35.4 9.630 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3732 1344.1 4.0 scans 55% 57 m/z (163) 0.50% 0.140% 502 0.8 238 198230 2974079 2854605 3-1 20: 57 115 97 145 127 69 56 129 59 111 128 109 58 72 87 71 146 70 201 114 0.767 11.45 -4.4 95 97 95 99 145 67.5 8.057 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1024 Contamination 10.96min 11.3858 1344.9 2.8 scans 72% 84 m/z 0.20% 0.180% 504 1.0 320 480209 0.197% 3826391 3770337 4176438 0-2 20: 84 133 162 161 119 92 82 118 51 65 130 78 134 63 117 91 104 120 52 163 0.776 10.96 25.9 95 95 94 99 161 81.6 6.486 0.430 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN TAB_REP6-N1026 Malic acid 13.4576 1472.8 2.6 scans 97% 73 m/z 0.25% 0.192% 701 1.1 343 392606 4071151 4066933 1-0 20: 73 147 233 245 133 148 190 189 74 75 175 191 101 335 55 149 234 59 217 117 1.000 13.53 -4.8 99 98 97 98 335 40.8 1.420 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2646 1524.9 2.6 scans 43% 263 m/z (71) 1.2% 0.0205% 777 1.0 112 77265 435736 433547 0-1 14: 263 264 278 239 265 342 279 175 133 240 247 91 207 119 0.994 14.33 -4.1 91 91 80 94 278 30.7 7.560 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1044 Dodecanol 14.7192 1555.1 2.6 scans 71% 243 m/z 2.4% 0.0191% 820 0.8 106 40212 0.0197% 405323 393129 417644 0-1 15: 243 244 103 89 97 83 61 101 245 111 59 129 91 67 115 0.983 14.24 31.7 93 95 89 97 243 56.6 28.274 0.477 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1859 1654.8 2.9 scans 78% 290 m/z 1.2% 0.0287% 960 1.5 123 76983 0.0450% 610225 580164 954009 1-0 13: 290 73 291 292 158 392 144 131 74 100 117 59 133 0.976 16.28 -6.3 96 94 86 98 392 16.4 1.769 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 2.7 scans 67% TIC 3.1% 0.0127% 993 0.9 108 31822 0.0600% 270796 270796 1272012 0-0 0.976 16.63 -6.5 89 90 89 90 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1010 Glycerol-P 17.4591 1745.4 2.5 scans 96% 357 m/z 0.11% 0.904% 1081 0.9 764 873677 19177825 18587222 2-1 20: 357 299 73 358 147 315 300 445 370 211 101 103 359 133 301 387 129 256 218 75 0.994 16.97 35.9 96 99 99 100 445 117.6 2.370 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1086 Fructofuranose 18.1683 1797.2 4.2 scans 67% 217 m/z 2.7% 0.0229% 1148 1.9 101 35923 0.0602% 485956 482080 1276252 2-0 15: 217 73 437 438 147 219 257 103 148 205 230 74 129 191 117 0.976 18.13 2.6 84 83 79 84 437 23.3 5.325 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN TAB_REP6-N1048 Citric acid 18.2303 1801.8 3.1 scans 75% TIC 2.3% 0.0288% 1154 2.0 124 41902 0.0522% 611379 591680 1106650 0-1 0.986 18.24 -1.0 81 76 78 90 465 15.3 1.509 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4155 1815.9 4.0 scans 90% 312 m/z (310) 0.029% 4.95% 1172 0.5 1398 3348384 104962476 100410353 1-1 20: 312 73 76 135 120 119 132 149 50 136 62 74 78 118 58 133 66 90 213 77 1.000 17.91 37.7 93 99 99 99 327 134.7 0.930 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1012 Phytol 18.5407 1825.5 2.7 scans 97% 68 m/z 0.18% 0.782% 1184 0.8 670 550556 0.857% 16596826 16360004 18168567 1-0 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 56 79 53 70 1.000 18.04 37.4 95 99 99 99 278 36.6 0.299 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6418 1833.2 2.6 scans 58% 285 m/z (70) 2.6% 0.0321% 1193 1.0 134 37382 1.13% 681810 591899 23956220 7-3 16: 285 117 132 129 286 145 118 131 287 116 201 300 76 130 61 241 0.959 18.73 -6.5 93 95 83 95 300 13.4 1.003 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1002 Phytol 18.8min 18.8427 1848.5 2.8 scans 89% 82 m/z 1.3% 0.115% 1212 1.1 259 72994 2458693 2372517 1-1 20: 82 81 68 95 57 123 69 55 83 67 79 96 124 109 71 97 53 56 110 278 1.000 18.84 0.2 96 96 98 96 278 28.5 1.213 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1072 Fructose 18.9385 1855.8 2.7 scans 90% 73 m/z 0.48% 0.131% 1221 1.0 278 204830 2786037 2735011 1-0 20: 73 103 307 217 147 308 218 277 133 74 309 104 205 189 89 219 117 364 148 191 0.995 19.03 -7.2 93 92 94 92 364 25.4 0.837 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0858 1867.0 2.9 scans 86% 81 m/z 0.66% 0.244% 1235 0.9 363 151288 5176736 5017611 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 96 97 109 124 278 53 111 56 0.999 18.58 38.6 94 97 98 99 278 46.1 1.616 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1068 Galactopyranose 19.2110 1876.6 2.8 scans 67% TIC 1.8% 0.0157% 1247 1.2 122 55179 0.340% 334905 334905 7208066 0-0 0.998 19.32 -7.9 87 86 86 87 435 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1064 Mannose 19.2604 1880.4 2.7 scans 82% 73 m/z 0.73% 0.0893% 1252 0.9 234 135614 0.181% 1894511 1773332 3837235 0-1 20: 73 319 205 160 147 320 217 103 321 206 74 117 229 161 148 133 89 189 207 157 0.996 19.45 -14.8 94 93 92 93 319 86.0 13.497 -0.195 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9044 1931.1 2.8 scans 36% 299 m/z (204) 4.1% 0.0284% 1313 1.5 125 24276 0.0305% 603466 560425 646606 1-0 12: 299 117 132 145 300 219 89 231 116 130 101 61 0.931 19.97 -5.5 81 79 79 94 314 10.2 0.666 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9107 1931.6 2.7 scans 56% 204 m/z 0.92% 0.0418% 1314 1.0 159 107945 886617 811918 3-2 13: 204 159 217 205 206 218 191 160 291 203 305 243 115 0.820 19.91 -0.1 90 90 74 90 361 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2737 1960.7 2.6 scans 64% 204 m/z 1.1% 0.0389% 1348 1.1 157 87818 826657 826657 0-0 14: 204 191 205 217 147 206 192 189 193 218 219 148 149 305 1.000 20.41 -11.3 90 90 89 90 217 36.7 5.482 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7767 2001.2 2.9 scans 93% TIC 0.49% 0.342% 1396 1.1 438 200240 0.359% 7267570 6780610 7610870 1-3 1.000 20.27 41.0 85 86 95 98 322 28.6 0.427 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1038 C16:0 21.1428 2032.0 3.1 scans 98% 313 m/z 0.037% 3.12% 1431 0.6 1277 2663564 66282955 65755339 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 74 201 315 116 130 1.000 20.62 43.7 94 99 99 100 328 140.7 1.214 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6595 2075.4 2.8 scans 61% 305 m/z 1.6% 0.0530% 1480 1.0 178 59288 1123640 1068637 2-1 17: 305 217 147 318 191 306 265 319 218 307 432 320 433 192 219 367 291 0.927 21.75 -7.5 92 92 79 92 507 12.0 0.457 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9541 2100.2 2.6 scans 85% 327 m/z 0.68% 0.151% 1508 1.1 308 146607 3218430 3046576 5-2 15: 327 117 75 132 129 145 328 342 118 131 329 133 201 74 299 0.993 22.33 -32.8 96 98 98 99 342 37.6 1.491 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1040 Phytol 22.6127 2157.7 2.8 scans 91% 143 m/z 0.11% 0.318% 1571 0.9 422 844703 6745487 6425218 4-1 19: 143 73 75 144 123 81 57 55 145 124 95 69 82 103 97 83 67 68 96 0.999 22.08 46.2 81 83 90 96 181 0.0 0.000 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1042 C18:2 23.0347 2194.6 5.7 scans 91% 73 m/z (342) 0.13% 1.96% 1611 1.9 747 762896 6.29% 41746142 39460327 133349224 6-0 18: 73 229 134 169 218 417 127 267 205 182 141 168 115 154 309 282 102 194 0.984 22.53 43.8 89 95 97 99 352 42.2 0.319 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1588 2205.7 4.5 scans 95% 75 m/z (357) 0.050% 6.49% 1623 0.3 1499 1973649 7.80% 137755819 128583154 165361518 0-10 20: 75 79 73 95 67 93 335 108 81 129 80 91 55 107 117 94 121 135 149 77 0.997 23.12 3.9 98 99 99 99 350 108.7 0.526 0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1036 C18:0 23.3998 2227.7 2.8 scans 93% 341 m/z 0.16% 0.698% 1645 0.9 629 613859 14798367 14558628 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 74 343 201 297 116 0.999 22.89 45.9 94 99 99 99 356 77.8 1.532 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1012 Androsterone 24.23min 24.2310 2303.8 6.8 scans 30% 143 m/z 1.2% 0.0243% 1724 1.5 108 82705 0.0461% 517075 512925 977329 2-0 5: 143 144 156 115 219 0.897 24.23 0.0 86 87 76 86 362 6.6 0.372 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1018 myo-Inositol 25.2148 2397.3 3.2 scans 79% TIC 0.60% 0.192% 1818 0.9 318 165449 0.359% 4080263 3953381 7610870 2-2 0.976 25.21 0.5 98 97 96 100 470 21.7 0.464 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6157 2436.9 3.2 scans 61% 91 m/z 0.50% 0.0791% 1856 1.3 199 198539 1678686 1584008 2-3 17: 91 117 194 207 92 115 65 208 193 312 104 118 195 51 178 128 179 0.957 25.61 0.6 98 98 97 98 312 22.6 1.290 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2996 2504.8 3.3 scans 30% 204 m/z 1.4% 0.0325% 1921 1.0 136 67233 0.0484% 689813 489610 1026089 17-0 8: 204 217 205 219 206 218 220 305 0.953 25.86 44.1 86 92 90 97 361 7.4 0.000 0.444 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5585 2531.6 2.8 scans 37% 512 m/z (218) 1.1% 0.0715% 1946 0.9 201 85128 1516204 1501595 0-1 16: 512 455 247 513 456 483 514 248 263 457 349 497 423 484 261 515 0.957 26.57 -1.5 93 94 85 96 512 62.7 9.784 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9310 2570.0 2.8 scans 90% 371 m/z 0.049% 1.36% 1981 0.8 906 2035661 29010191 28343444 1-1 20: 371 372 73 147 57 129 205 203 239 55 373 103 71 459 116 75 145 101 117 85 1.000 26.39 55.4 90 97 98 100 459 110.5 1.492 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN LQC1-N1010 Sucrose 27.4202 2621.3 2.8 scans 39% 361 m/z 0.49% 0.150% 2028 0.9 290 200243 3199677 3011559 0-6 11: 361 362 437 363 271 451 438 439 364 452 272 0.907 27.58 -16.9 98 98 90 98 437 53.2 3.373 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7292 2764.2 2.7 scans 93% 399 m/z 0.079% 0.843% 2152 0.8 726 1252070 17887402 17394930 0-1 20: 399 400 73 147 57 129 205 203 55 103 71 401 487 116 75 145 85 101 69 117 1.000 28.19 60.3 90 98 98 100 487 90.2 1.544 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN SQUALENE-N1017 Squalene STD 29.0806 2803.8 2.9 scans 41% 69 m/z 1.2% 0.0339% 2185 1.2 148 83181 719846 695837 1-1 16: 69 81 136 137 68 95 121 123 93 149 70 107 82 94 122 341 0.971 29.09 -1.3 81 81 90 80 410 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8287 2887.9 3.0 scans 36% 57 m/z 1.8% 0.0257% 2256 1.3 137 54392 0.0350% 546128 535047 742007 3-0 19: 57 71 85 55 99 56 70 83 97 113 84 127 140 86 98 141 72 58 126 0.973 29.83 0.2 82 83 94 83 408 6.9 0.256 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1038 Hexacosanol 30.1780 2928.7 2.7 scans 6.7% 439 m/z 8.3% 0.00410% 2290 1.0 49 12001 86941 86941 0-0 3: 439 440 441 0.746 30.17 0.6 94 98 64 97 439 30.9 40.437 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4127 2956.6 4.0 scans 61% 73 m/z (204) 0.71% 0.230% 2312 0.8 300 139565 4877018 4533246 5-2 20: 73 427 147 206 428 412 133 75 74 145 148 104 189 149 188 132 59 116 203 207 0.977 30.36 6.5 84 85 89 87 529 11.7 0.152 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4621 2962.5 >3 scans 53% TIC 0.92% 0.0365% 2317 1.1 201 108094 0.207% 774138 774138 4388440 0-0 0.990 30.46 -0.1 94 92 96 96 393 41.0 4.182 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2071 3051.0 2.9 scans 71% 57 m/z 0.28% 0.238% 2387 1.1 368 346357 5059811 4788848 5-1 20: 57 71 85 55 56 99 69 83 97 393 70 113 127 111 84 141 58 394 421 392 0.993 31.21 -0.5 99 98 99 98 393 53.3 2.091 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1048 Hentriacontane 31.5112 3087.1 3.0 scans 55% 57 m/z 0.27% 0.261% 2416 1.0 373 362728 0.269% 5535044 4771512 5702852 5-7 20: 57 71 85 55 99 69 97 83 56 113 70 84 127 111 141 98 58 112 72 86 0.995 31.53 -2.4 98 97 99 97 436 19.7 0.280 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8110 3122.7 2.8 scans 62% 502 m/z (85) 0.23% 0.235% 2445 0.8 368 423948 4990763 4929775 0-1 14: 502 237 503 236 504 238 277 221 223 239 208 505 467 235 0.994 31.79 2.3 97 98 92 99 502 183.6 24.842 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9384 3137.8 3.1 scans 63% 329 m/z 0.71% 0.301% 2457 1.0 414 140488 6383237 6349285 0-1 14: 329 129 368 353 458 95 330 107 119 121 105 145 328 369 0.983 31.87 8.4 94 94 94 97 458 57.4 1.922 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1078 3157.9 3.0 scans 41% 57 m/z 0.28% 0.245% 2473 1.6 386 346785 0.421% 5214493 5214493 8925282 0-0 20: 57 71 56 85 421 55 83 99 69 97 70 420 113 422 111 127 84 141 58 393 0.965 32.11 -0.3 95 95 97 98 421 81.2 4.432 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1002 Stigmasterol 32.9790 3261.4 3.0 scans 69% 83 m/z (99) 0.22% 1.14% 2556 0.9 767 447360 24242322 22690094 1-1 18: 83 129 55 255 69 484 394 81 133 159 107 105 119 145 95 93 355 351 0.982 32.42 66.5 83 96 96 96 665 68.6 0.801 0.560 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1046 Stigmasterol 32.9800 3261.5 3.5 scans 63% TIC 0.23% 1.06% 2556 1.1 735 429270 22633857 20515900 3-1 0.804 32.98 -0.3 91 93 91 97 665 60.3 0.000 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1021 3276.0 3.2 scans 71% 57 m/z 0.092% 0.886% 2568 0.8 671 1081292 1.26% 18786602 18567941 26712245 0-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 125 58 0.986 33.10 0.6 89 86 97 93 515 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN WTF2-N1034 b-Sitosterol 33.4714 3319.9 3.6 scans 49% 357 m/z (97) 0.64% 0.415% 2603 0.7 425 155399 8813146 8324690 1-3 9: 357 396 486 381 358 356 120 487 255 0.987 32.88 70.6 81 94 95 98 486 60.1 1.999 0.594 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5861 3333.5 3.6 scans 26% 386 m/z (99) 2.6% 0.162% 2614 1.1 246 37526 0.252% 3448401 2856745 5342449 1-14 7: 386 296 387 281 371 388 394 0.960 33.58 0.2 84 84 85 92 505 9.7 0.155 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8933 3370.0 3.5 scans 2.6% 441 m/z 5.3% 0.00678% 2643 1.1 56 18723 143848 143848 0-1 5: 441 442 646 308 509 0.789 33.80 11.6 84 84 54 92 646 10.3 3.411 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5825 3451.8 3.8 scans 8.9% 596 m/z 1.4% 0.0314% 2708 1.0 115 68422 0.0316% 665845 642246 669926 1-0 8: 596 597 598 316 599 302 303 300 0.966 34.47 13.1 95 95 72 96 596 73.8 41.133 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN EXBLK5S-N1006 Contamination 6.3722 1048.3 4.3 scans 68% TIC 0.84% 0.0312% 27 3.0 153 117998 0.0975% 819887 819887 2558363 0-0 0.938 6.63 -15.0 97 96 85 96 295 49.0 10.197 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1192 Contamination 8.0104 1145.4 2.6 scans 97% 73 m/z 0.11% 0.466% 183 0.7 547 906170 12228373 11926275 5-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 160 75 100 103 149 131 134 221 0.997 7.99 1.2 99 98 97 98 235 111.2 4.132 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1026 Cadaverine NC 8.1283 1152.4 2.1 scans 37% 174 m/z 7.4% 0.00278% 194 0.9 49 13391 72974 72974 0-0 5: 174 175 216 100 86 0.937 7.74 23.2 91 93 82 94 216 10.8 4.949 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1188 Contamination 8.3103 1163.2 2.4 scans 79% 281 m/z 2.6% 0.0159% 211 1.1 108 37913 419487 403347 1-1 14: 281 147 369 282 283 370 265 371 148 249 207 149 191 284 0.965 8.41 -6.2 97 96 77 98 369 30.5 8.047 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1186 Phosphate 8.5386 1176.7 2.1 scans 98% 241 m/z 0.038% 0.589% 233 1.0 691 2611478 15475699 15475699 0-0 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 75 137 134 121 257 1.000 8.56 -1.3 100 99 99 100 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1180 Benzoic acid 9.6919 1244.5 3.5 scans 61% 179 m/z 7.0% 0.00663% 343 0.6 54 14096 0.00829% 174021 171769 217526 1-0 7: 179 105 135 77 194 180 51 0.977 9.76 -4.0 93 93 83 93 194 9.0 2.766 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN VEN77_S6-N1002 Glycerol 10.0507 1265.5 4.6 scans 97% 299 m/z 0.017% 2.85% 377 0.4 1079 5564312 74923267 74074492 1-0 20: 299 73 300 314 301 133 147 283 207 315 211 205 193 191 316 135 103 302 74 117 1.000 10.09 -2.5 98 96 91 99 299 618.8 33.060 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6788 1302.3 3.2 scans 66% 199 m/z 1.4% 0.0668% 436 0.8 186 69851 1753951 1692727 2-1 20: 199 75 73 117 145 132 129 200 131 81 118 74 76 61 79 146 72 119 201 107 0.762 10.73 -3.3 94 91 91 99 209 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1168 Glyceric acid 10.9566 1319.1 2.8 scans 64% TIC 6.6% 0.00617% 463 1.0 70 15001 0.0892% 161983 161983 2340574 0-0 0.974 11.05 -5.8 87 88 75 88 292 20.2 8.393 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0103 1322.3 2.6 scans 88% 184 m/z 1.0% 0.0527% 468 0.9 190 91879 0.0548% 1384658 1370833 1437931 1-0 19: 184 134 285 73 174 77 86 100 59 185 227 286 172 135 130 186 175 110 143 1.000 11.06 -3.2 98 97 92 99 285 53.4 7.862 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3827 1344.7 4.4 scans 48% 57 m/z (84) 0.56% 0.109% 503 0.7 206 176706 0.113% 2880422 2669809 2965077 3-3 17: 57 97 115 145 127 69 129 59 111 109 128 58 72 98 201 113 110 0.973 11.45 -3.8 93 93 95 99 145 59.7 8.430 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4017 1345.9 2.8 scans 85% 84 m/z 0.089% 0.334% 505 1.0 454 1116495 0.350% 8783187 8532373 9183865 5-1 20: 84 133 162 161 119 92 85 118 82 51 65 130 78 134 117 63 91 163 105 52 0.988 10.96 26.9 96 96 96 98 161 117.0 6.629 0.446 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1146 Malic acid 13.4619 1473.1 2.5 scans 96% 73 m/z 0.11% 0.318% 701 1.0 479 848178 8355731 8271340 1-0 20: 73 147 233 245 133 189 148 75 190 74 191 175 55 149 101 335 234 59 217 117 1.000 13.62 -9.7 100 99 98 99 350 11.7 0.060 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2700 1525.3 2.6 scans 65% 263 m/z 0.89% 0.0283% 778 1.0 136 111762 744727 744727 1-0 10: 263 264 278 265 447 279 175 247 207 448 0.986 14.33 -3.7 87 83 83 96 278 33.9 6.174 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1044 Dodecanol 14.7224 1555.3 2.6 scans 69% 243 m/z 1.6% 0.0205% 821 0.9 117 60073 538498 537359 1-0 13: 243 244 103 89 97 245 101 61 111 59 76 115 67 0.936 14.24 31.9 93 96 89 97 243 64.3 30.384 0.480 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1871 1654.9 3.0 scans 74% TIC 1.2% 0.0194% 960 1.4 120 79273 0.0806% 510514 510514 2114913 0-0 0.973 16.28 -6.2 95 93 84 98 392 17.6 2.145 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5354 1679.1 2.9 scans 70% 55 m/z 1.6% 0.0285% 993 1.1 137 59606 0.0560% 748908 662404 1469418 3-0 17: 55 83 69 56 97 70 111 84 98 82 127 68 96 140 54 112 67 0.963 16.63 -6.3 91 90 87 90 210 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1010 Glycerol-P 17.4602 1745.5 2.5 scans 93% 357 m/z 0.11% 0.712% 1081 0.9 703 872017 18686474 17779885 3-1 20: 357 299 73 358 147 315 300 445 370 211 103 101 359 133 301 387 256 129 218 75 0.985 16.97 36.0 96 99 98 100 445 109.1 2.410 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1086 Fructofuranose 18.1663 1797.0 3.8 scans 71% 217 m/z 1.5% 0.0349% 1148 2.0 132 65479 0.0941% 918180 896226 2469148 1-0 19: 217 73 437 218 438 147 219 230 191 74 341 103 148 215 189 149 205 231 133 0.979 18.13 2.4 84 82 84 86 437 31.6 5.751 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN TAB_REP6-N1048 Citric acid 18.2315 1801.9 2.7 scans 76% 273 m/z 1.2% 0.0442% 1154 1.1 169 77139 0.0509% 1159897 1159897 1335596 0-0 17: 273 147 274 363 375 347 275 149 465 211 148 257 305 364 348 376 221 0.997 18.24 -0.9 91 87 88 98 465 21.3 1.588 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4167 1816.0 4.0 scans 90% 312 m/z (310) 0.030% 3.74% 1172 0.5 1273 3326086 98250313 93996344 1-1 20: 312 73 76 135 119 120 132 149 313 50 136 62 74 78 118 58 327 133 66 213 1.000 17.91 37.8 93 99 98 99 327 125.4 0.973 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1012 Phytol 18.5429 1825.6 2.7 scans 97% 68 m/z 0.14% 0.766% 1184 0.8 701 688938 0.831% 20110078 19697824 21805121 1-1 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 37.5 95 98 99 99 278 39.4 0.316 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6429 1833.2 2.7 scans 58% 285 m/z (70) 2.2% 0.0307% 1193 1.0 136 44711 806618 796865 4-0 15: 285 117 132 129 286 145 118 287 61 201 116 300 76 130 146 0.957 18.73 -6.5 93 95 84 95 300 11.7 0.745 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1076 Pregnane?? 18.7671 1842.7 2.6 scans 68% 345 m/z 2.1% 0.0252% 1205 1.1 130 45638 0.0297% 662501 657321 779317 0-1 16: 345 346 255 147 347 205 334 256 148 192 435 193 149 218 419 215 0.927 18.86 -7.0 81 81 74 81 537 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1002 Phytol 18.8min 18.8449 1848.7 2.7 scans 90% 82 m/z 1.2% 0.102% 1213 1.1 252 81308 2697480 2690215 0-1 20: 82 81 68 95 123 57 55 69 83 67 79 71 96 97 124 109 53 110 278 56 0.998 18.84 0.4 98 97 99 97 278 28.5 1.277 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1072 Fructose 18.9407 1856.0 2.7 scans 93% 73 m/z 0.21% 0.253% 1222 1.0 397 465516 6651059 6446128 1-1 20: 73 103 307 217 147 308 218 277 133 309 74 189 205 104 117 364 89 148 219 172 0.998 19.03 -7.0 96 95 97 96 364 36.8 0.859 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0890 1867.3 2.9 scans 88% 81 m/z 0.57% 0.217% 1236 0.9 360 174378 5711822 5414573 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 97 96 71 124 109 53 111 278 56 0.999 18.58 38.9 92 96 98 98 278 44.2 1.502 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1068 Galactopyranose 19.2111 1876.6 2.8 scans 76% 204 m/z 0.73% 0.0453% 1247 1.1 177 135275 0.296% 1191214 1153436 7766926 2-0 19: 204 191 73 147 205 192 217 206 193 218 189 148 133 149 231 203 243 219 305 1.000 19.32 -7.9 93 92 91 93 435 10.9 0.376 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1064 Mannose 19.2616 1880.4 2.8 scans 89% 73 m/z 0.22% 0.265% 1252 0.9 411 442313 0.446% 6978804 6392157 11702869 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 229 133 189 161 148 207 157 129 0.997 19.45 -14.8 97 96 96 96 319 147.9 12.976 -0.193 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN BRA4_R~2-N1004 Galactose 19.5078 1899.2 3.2 scans 80% 73 m/z 0.95% 0.0816% 1276 1.2 219 104398 0.172% 2141242 2141242 4513214 0-0 20: 73 319 160 320 103 71 88 57 217 85 321 69 102 229 74 99 157 161 113 104 0.955 19.36 11.1 90 89 73 91 364 0.0 0.000 0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9055 1931.2 2.6 scans 31% 299 m/z (204) 3.0% 0.0225% 1313 1.1 120 32403 592322 592322 1-0 7: 299 300 130 116 146 201 61 0.923 19.97 -5.4 81 78 79 96 314 8.4 0.485 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9108 1931.6 2.7 scans 71% 204 m/z 0.69% 0.0559% 1314 1.0 191 144494 1468512 1325652 2-2 12: 204 159 217 205 206 129 218 191 160 231 243 291 0.996 19.91 -0.1 93 92 93 94 361 8.0 0.174 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2749 1960.8 2.7 scans 75% 204 m/z 0.47% 0.0866% 1348 1.2 234 209172 2273562 2172784 1-3 19: 204 73 191 205 147 217 206 192 189 129 74 117 193 133 218 103 148 219 149 0.985 20.41 -11.2 94 93 93 93 217 51.9 4.930 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7799 2001.5 2.9 scans 92% TIC 0.48% 0.313% 1396 1.1 419 206732 0.342% 8223876 7804955 8973949 1-3 0.993 20.27 41.3 84 85 94 97 322 28.0 0.445 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1038 C16:0 21.1503 2032.6 3.2 scans 98% 313 m/z 0.032% 2.99% 1432 0.4 1255 3093522 78658050 76764057 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 69 57 201 315 74 269 285 1.000 20.62 44.3 94 99 99 100 328 140.9 1.262 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6585 2075.3 2.8 scans 84% 305 m/z (79) 0.53% 0.156% 1480 1.0 309 187711 4116762 3837520 1-1 17: 305 217 147 318 191 306 319 265 218 204 307 432 148 320 433 219 367 0.995 21.75 -7.6 95 97 95 97 507 19.4 0.393 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9563 2100.4 2.8 scans 85% 327 m/z 0.59% 0.154% 1508 1.3 304 169305 0.163% 4064394 3597645 4277057 12-2 18: 327 117 73 75 132 129 145 328 55 342 329 131 118 133 201 299 74 116 0.990 22.33 -32.6 96 98 98 99 342 36.7 1.452 -0.374 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1040 Phytol 22.6149 2157.9 3.1 scans 89% 143 m/z 0.10% 0.282% 1571 0.9 405 912122 7412811 7231988 2-2 16: 143 73 75 144 123 81 55 124 145 95 103 82 97 74 96 68 0.998 22.08 46.4 81 83 90 96 181 0.0 0.000 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1042 C18:2 23.0390 2194.9 5.7 scans 83% 73 m/z (342) 0.11% 1.66% 1611 1.8 720 890708 5.26% 43696638 40162254 138020378 7-0 20: 73 74 229 213 192 143 169 155 183 153 59 195 134 218 226 103 101 267 127 254 0.981 22.53 44.1 88 95 96 99 352 40.5 0.317 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1631 2206.0 4.8 scans 95% 75 m/z (357) 0.045% 6.00% 1623 0.4 1463 2187882 7.21% 157553733 148050064 189187628 0-10 20: 75 79 73 95 67 93 108 81 335 80 129 55 91 107 117 94 121 77 135 149 0.997 23.12 4.2 98 99 99 99 350 104.0 0.506 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1036 C18:0 23.4041 2228.1 2.7 scans 92% 341 m/z 0.12% 0.669% 1646 0.9 657 786411 17556680 17042308 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 74 343 201 116 297 1.000 22.89 46.3 93 99 99 99 356 82.5 1.574 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1469 2296.0 3.6 scans 21% 204 m/z (333) 1.4% 0.0232% 1717 0.8 103 67843 0.0304% 610943 568461 797684 0-6 15: 204 205 337 147 217 103 206 218 219 338 191 361 339 101 189 0.959 24.01 12.5 81 84 67 84 490 0.0 0.000 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1012 Androsterone 24.23min 24.2332 2304.0 6.8 scans 31% 143 m/z 1.0% 0.0242% 1725 1.4 112 94401 0.0394% 636210 622660 1033841 1-0 4: 143 144 156 272 0.886 24.23 0.2 86 88 79 87 362 9.0 0.655 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1018 myo-Inositol 25.2160 2397.4 3.4 scans 80% TIC 0.45% 0.220% 1818 1.0 346 220760 0.390% 5779239 5617685 10233450 2-2 0.978 25.21 0.6 97 95 95 100 470 23.2 0.453 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6221 2437.5 3.5 scans 51% 91 m/z 0.69% 0.0495% 1857 1.3 155 144146 1300106 1185442 4-2 17: 91 117 194 207 92 115 208 65 193 312 104 178 118 51 195 179 128 0.937 25.61 1.2 97 98 94 97 312 18.4 1.423 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3018 2505.0 3.5 scans 30% 204 m/z 1.3% 0.0269% 1921 1.1 124 72312 0.0365% 707372 520045 957746 16-0 6: 204 217 205 219 206 218 0.950 25.86 44.3 89 96 91 97 361 4.4 0.000 0.446 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5617 2531.9 3.0 scans 29% 512 m/z 1.6% 0.0449% 1946 1.0 163 59528 1179225 1086761 1-1 17: 512 455 247 513 456 248 483 514 263 349 457 497 423 484 179 235 409 0.957 26.57 -1.2 93 93 78 93 512 57.4 12.456 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9384 2570.8 2.8 scans 92% 371 m/z 0.037% 1.47% 1982 0.7 954 2638414 38587447 38009801 1-0 20: 371 372 73 147 129 57 205 203 239 55 103 459 373 71 116 145 101 75 85 117 1.000 26.39 56.2 90 97 97 100 459 118.5 1.549 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN LQC1-N1008 Sucrose 27.4235 2621.6 3.0 scans 65% 361 m/z 0.19% 0.325% 2028 1.0 437 518910 8542507 7975663 0-14 14: 361 217 362 437 363 271 451 218 438 169 243 439 219 452 0.938 27.59 -17.9 99 98 92 98 437 78.5 3.229 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7335 2764.7 3.0 scans 93% 399 m/z 0.067% 0.906% 2152 0.9 730 1481554 23798799 23797815 1-0 20: 399 400 73 147 129 57 205 203 103 55 401 71 487 116 145 75 117 101 85 267 1.000 28.19 60.8 89 98 98 100 487 90.7 1.542 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8351 2888.7 2.9 scans 42% TIC 1.4% 0.0162% 2257 1.0 148 71076 0.0354% 425648 419095 928882 1-0 0.974 29.83 1.0 85 87 95 86 408 8.8 0.357 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1038 Hexacosanol 30.1823 2929.3 3.0 scans 8.7% 439 m/z 6.1% 0.00480% 2290 1.1 53 16164 0.00751% 126189 126189 197060 0-0 3: 439 440 441 0.836 30.17 1.2 95 98 66 97 439 33.3 39.574 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4254 2958.1 3.1 scans 58% 193 m/z (204) 0.65% 0.177% 2313 1.2 302 153119 4662802 4151038 2-2 15: 193 119 105 163 120 194 176 91 171 121 247 515 325 106 158 0.976 30.36 8.0 88 90 91 91 529 13.0 0.185 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4685 2963.2 3.0 scans 45% 57 m/z 0.84% 0.0611% 2317 0.8 191 118036 0.0706% 1604082 1499415 1852517 2-1 14: 57 71 56 85 393 392 99 70 97 394 113 345 365 84 0.976 30.46 0.6 90 88 94 95 393 43.9 5.292 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2124 3051.6 3.0 scans 72% 57 m/z 0.23% 0.243% 2388 1.0 384 425908 6377335 5992912 4-0 20: 57 71 85 55 99 56 69 83 97 393 113 70 127 111 84 141 155 58 98 86 0.984 31.21 0.1 99 99 99 99 393 55.9 2.121 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1048 Hentriacontane 31.5165 3087.7 3.1 scans 63% 57 m/z (204) 0.21% 0.324% 2417 1.0 398 457240 8503798 7086428 5-10 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 58 155 112 86 0.989 31.53 -1.8 94 94 97 97 436 22.4 0.315 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8154 3123.2 3.0 scans 66% 502 m/z (85) 0.23% 0.237% 2445 1.0 366 428809 6234910 6002251 1-1 15: 502 237 503 236 238 504 277 221 239 223 208 505 467 262 235 0.990 31.79 2.8 96 97 93 99 502 171.8 22.038 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9427 3138.3 3.3 scans 53% 329 m/z 0.87% 0.218% 2457 1.1 347 113959 5728827 5190936 1-1 18: 329 129 368 458 353 330 95 107 119 121 105 328 369 145 93 91 459 120 0.943 31.87 8.9 93 93 90 96 458 49.6 2.050 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1142 3158.7 3.5 scans 37% 57 m/z (501) 0.25% 0.322% 2474 1.4 389 394043 0.579% 8463613 8229069 15192737 0-3 20: 57 56 85 55 97 83 69 70 420 113 127 111 141 84 58 393 98 125 82 392 0.935 32.11 0.5 92 95 96 98 421 88.3 5.155 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1046 Stigmasterol 32.9833 3261.9 3.4 scans 44% 83 m/z (309 99) 0.23% 0.878% 2556 1.0 637 432207 23044993 21674451 1-2 19: 83 129 55 255 394 484 69 81 133 119 107 351 95 105 93 355 91 379 485 0.913 32.98 0.1 87 92 86 94 665 9.2 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1064 3276.5 3.1 scans 75% TIC 0.076% 0.676% 2568 1.0 692 1300567 2.67% 17755129 17755129 70059774 0-0 0.990 33.10 1.1 85 82 96 92 515 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3621 3306.9 3.3 scans 21% 437 m/z (97) 0.93% 0.159% 2592 0.6 265 107521 4197830 3966256 3-2 11: 437 529 438 287 530 439 452 450 440 453 511 0.822 33.38 -2.0 89 94 69 93 529 51.4 3.764 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN WTF2-N1034 b-Sitosterol 33.4747 3320.3 >4 scans 52% TIC 0.55% 0.241% 2603 0.8 446 181315 1.94% 6335535 6313619 50904854 1-0 0.920 32.88 71.0 82 94 94 98 486 61.0 1.867 0.598 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8998 3370.8 3.4 scans 8.2% 441 m/z 1.2% 0.0241% 2643 1.0 110 78938 632393 630913 0-1 6: 441 442 308 646 647 443 0.725 33.80 12.4 89 90 64 94 646 20.6 3.552 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5910 3452.9 3.9 scans 8.5% 596 m/z 1.1% 0.0335% 2709 0.9 122 86450 879619 877424 0-2 5: 596 597 598 599 330 0.952 34.47 14.2 95 95 74 96 596 77.1 40.211 0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN EXBLK5S-N1006 Contamination 6.3784 1048.7 2.1 scans 71% 207 m/z 0.73% 0.0340% 28 1.1 161 135668 807401 738624 1-6 17: 207 73 295 208 209 296 191 297 279 193 189 177 247 192 119 210 280 0.972 6.63 -14.6 98 97 93 97 295 51.7 10.313 -0.247 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1192 Contamination 8.0798 1149.5 2.7 scans 96% 147 m/z 0.20% 0.354% 189 0.8 404 499258 8397682 7251138 25-0 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 149 100 103 75 131 134 221 1.000 7.99 5.3 97 96 97 97 235 81.5 4.069 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1026 Cadaverine NC 8.1377 1153.0 2.7 scans 57% TIC 4.1% 0.00284% 195 0.9 64 24006 0.245% 67492 67492 5810418 0-0 0.981 7.74 23.8 92 92 83 95 216 16.1 6.431 0.402 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1188 Contamination 8.3197 1163.8 2.3 scans 79% 281 m/z 1.9% 0.0213% 212 1.1 121 51288 506396 486669 1-1 15: 281 147 369 282 283 370 265 371 148 207 249 191 149 284 251 0.980 8.41 -5.6 98 97 81 99 369 35.3 8.436 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1186 Phosphate 8.5996 1180.4 2.1 scans 98% 241 m/z 0.035% 0.716% 239 0.9 712 2813616 17000881 16762986 1-0 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 137 75 134 181 121 1.000 8.56 2.4 100 99 99 100 299 0.0 0.000 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1180 Benzoic acid 9.7391 1247.3 3.4 scans 37% 179 m/z 7.5% 0.00665% 347 0.6 49 13288 157925 118868 4-4 6: 179 105 135 77 180 181 0.846 9.76 -1.2 89 93 82 93 194 5.6 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN VEN77_S6-N1002 Glycerol 10.0906 1267.9 4.3 scans 96% TIC 0.014% 3.95% 381 0.4 1207 7079326 93727654 91950454 1-1 1.000 10.09 -0.1 98 97 92 99 299 693.1 33.135 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7145 1304.5 3.2 scans 75% 199 m/z (69) 1.3% 0.0715% 440 0.7 176 72158 0.0781% 1697968 1539119 1852219 7-5 19: 199 75 73 117 145 132 129 200 131 74 118 61 76 116 201 72 133 119 155 1.000 10.73 -1.1 95 95 96 99 209 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0449 1324.4 2.6 scans 34% 184 m/z 7.5% 0.00624% 471 1.0 61 13169 148146 148146 0-0 7: 184 134 285 174 86 100 59 0.898 11.06 -1.1 89 91 78 91 285 20.4 11.283 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4090 1346.3 4.6 scans 49% 57 m/z (84) 0.57% 0.124% 506 0.9 201 173696 0.140% 2941329 2920574 3320239 2-0 15: 57 97 115 145 127 129 69 59 111 109 128 72 98 110 113 0.949 11.45 -2.2 95 97 96 98 145 59.2 8.637 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4469 1348.6 3.2 scans 95% TIC 0.039% 1.09% 509 0.6 687 2529673 1.15% 26000170 23749345 27273390 5-0 0.997 10.96 29.6 96 97 96 98 161 179.2 6.802 0.491 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1146 Malic acid 13.4787 1474.2 2.6 scans 95% 73 m/z 0.19% 0.232% 703 1.0 370 508309 5519894 5504723 2-0 20: 73 147 233 245 133 189 190 148 75 74 149 175 191 335 101 234 55 217 59 307 0.997 13.62 -8.6 99 98 97 98 350 8.8 0.057 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2867 1526.4 2.6 scans 58% 263 m/z 0.68% 0.0436% 779 1.1 157 146654 1035233 1035233 0-0 17: 263 264 278 239 265 447 342 279 448 175 207 247 240 149 191 449 131 0.966 14.33 -2.6 86 81 83 96 278 38.8 6.085 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1044 Dodecanol 14.7371 1556.2 2.6 scans 61% 243 m/z 1.6% 0.0230% 822 1.1 117 60566 546291 516674 1-1 12: 243 244 103 89 97 245 101 61 76 115 59 74 0.883 14.24 32.8 93 96 88 97 243 64.1 29.895 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2007 1655.8 3.1 scans 73% TIC 1.1% 0.0262% 961 1.9 125 84830 0.0873% 621927 621927 2070406 0-0 0.953 16.28 -5.3 93 90 82 98 392 17.2 1.897 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5490 1680.0 2.9 scans 72% TIC 1.8% 0.0234% 994 1.0 133 52713 0.136% 555057 555057 3225375 0-0 0.991 16.63 -5.4 94 94 94 94 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1010 Glycerol-P 17.4791 1746.9 2.4 scans 97% 357 m/z 0.057% 1.54% 1083 0.8 979 1743004 36690654 36579567 1-0 20: 357 299 73 358 315 147 300 445 370 211 359 101 103 301 387 133 256 129 218 328 0.994 16.97 37.4 96 99 98 99 445 154.6 2.492 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN TAB_REP6-N1048 Citric acid 18.2451 1802.9 2.8 scans 38% 273 m/z 6.4% 0.0105% 1156 1.2 74 15533 0.0120% 251053 251053 284592 0-0 9: 273 363 274 347 375 305 275 157 149 0.904 18.24 0.1 81 80 71 89 465 9.1 1.481 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4345 1817.4 4.2 scans 89% 73 m/z 0.032% 4.06% 1174 0.5 1217 3093848 96492399 95381145 0-1 20: 73 76 135 119 120 132 149 136 62 74 118 58 133 77 90 121 75 137 117 150 0.938 17.91 39.2 94 99 93 98 327 119.0 0.957 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1012 Phytol 18.5639 1827.2 2.8 scans 97% 68 m/z 0.088% 1.47% 1186 0.7 900 1123771 1.61% 35022020 34628406 38182747 1-0 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 56 79 70 53 1.000 18.04 39.1 94 98 99 99 278 52.1 0.335 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1016 Hexadecene 18.6292 1832.2 3.1 scans 89% TIC 0.44% 0.207% 1192 1.5 315 222458 5.69% 4913082 4636073 134943993 0-1 0.990 18.10 39.8 83 83 92 97 280 45.2 2.056 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6576 1834.4 2.7 scans 64% 285 m/z (70) 1.9% 0.0367% 1195 1.1 146 50458 872433 870656 2-0 16: 285 117 132 129 145 286 118 201 287 300 61 116 76 257 130 241 0.960 18.73 -5.3 93 95 84 95 300 14.0 0.925 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1002 Phytol 18.8min 18.8606 1849.9 2.7 scans 93% 81 m/z 0.57% 0.228% 1214 1.1 366 175141 5416517 5208019 1-2 20: 81 82 68 95 57 123 69 55 83 67 79 71 96 97 124 109 53 278 56 110 0.999 18.84 1.6 98 98 99 98 278 42.1 1.320 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1072 Fructose 18.9522 1856.8 2.7 scans 91% 73 m/z 0.27% 0.209% 1223 1.0 350 363639 4976589 4824261 2-1 20: 73 103 307 217 147 308 277 218 133 74 205 309 104 117 189 364 89 219 148 75 0.996 19.03 -6.2 95 94 96 95 364 33.1 0.894 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1070 Fructose 19.0700 1865.8 2.7 scans 79% 73 m/z 0.34% 0.160% 1234 1.0 309 291220 3802796 3602722 1-4 20: 73 103 217 307 147 308 218 277 74 309 205 104 364 89 133 262 117 189 219 148 0.998 19.19 -9.5 92 91 92 91 554 13.4 0.187 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1048 1868.5 2.8 scans 94% 81 m/z 0.27% 0.482% 1237 1.0 518 359493 11454556 11393212 1-0 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 40.1 93 96 98 99 278 66.8 1.662 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1064 Mannose 19.2731 1881.3 2.6 scans 90% 73 m/z 0.27% 0.244% 1253 1.0 372 368332 0.249% 5805869 5669819 5905282 2-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 157 207 189 161 148 89 0.996 19.45 -13.9 97 96 96 97 319 133.7 12.920 -0.182 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1068 Galactopyranose 19.3468 1886.9 2.8 scans 56% 204 m/z 2.3% 0.0269% 1260 1.3 122 42918 0.106% 639642 607311 2513895 0-2 7: 204 191 192 206 193 189 148 0.950 19.32 2.4 81 79 73 84 435 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN BRA4_R~2-N1004 Galactose 19.5214 1900.3 3.1 scans 81% 73 m/z 1.2% 0.0928% 1277 1.1 224 78193 0.148% 2202765 2202765 3509967 0-0 19: 73 319 88 205 102 160 71 147 57 103 320 85 217 321 89 99 229 133 150 0.992 19.36 12.2 83 82 60 84 364 0.0 0.000 0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9244 1932.7 2.7 scans 77% 204 m/z 0.38% 0.114% 1315 1.1 250 261832 0.122% 2711350 2410617 2893351 5-2 17: 204 159 217 205 147 206 129 218 103 191 189 133 160 219 148 305 231 1.000 19.91 1.0 96 95 95 98 361 12.0 0.229 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2853 1961.7 2.8 scans 45% 204 m/z 1.8% 0.0225% 1350 1.1 112 54768 535370 533510 1-0 13: 204 191 205 147 217 192 206 193 218 189 103 219 148 0.918 20.41 -10.3 87 87 85 87 217 26.9 5.777 -0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7977 2003.0 2.8 scans 94% TIC 0.24% 0.693% 1398 1.0 595 408594 16437961 14208559 9-1 0.999 20.27 42.8 82 82 94 98 322 40.4 0.460 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1038 C16:0 21.1639 2033.8 3.3 scans 98% 313 m/z 0.029% 3.62% 1433 0.5 1311 3431712 86049890 85995632 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 269 1.000 20.62 45.5 94 99 99 100 328 150.0 1.309 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6721 2076.5 2.8 scans 59% 305 m/z 1.3% 0.0625% 1481 1.1 185 76568 1484218 1468832 3-0 20: 305 217 147 318 191 306 265 319 218 204 307 432 320 219 367 148 192 291 433 393 0.925 21.75 -6.4 95 95 81 94 507 13.3 0.514 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9720 2101.7 3.0 scans 84% TIC 0.66% 0.158% 1510 0.9 288 151383 0.276% 3757693 3548529 6545614 0-3 0.981 22.33 -31.3 96 97 96 99 342 35.0 1.483 -0.358 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1040 Phytol 22.6275 2159.0 3.2 scans 90% TIC 0.077% 0.425% 1572 1.1 478 1295238 0.602% 10084076 9948587 14277027 0-1 0.992 22.08 47.5 80 83 89 96 181 7.0 0.022 0.544 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1042 C18:2 23.0568 2196.5 >6 scans 82% 73 m/z (342) 0.12% 1.69% 1613 1.6 685 777302 7.57% 40303366 37482733 179530057 4-0 20: 73 117 74 145 126 229 156 143 192 169 400 218 153 134 395 59 155 226 269 231 0.981 22.53 45.7 87 95 96 99 352 38.5 0.316 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1904 2208.5 5.5 scans 94% 75 m/z 0.041% 8.22% 1626 0.2 1534 2429282 9.25% 195122401 183175497 219372923 0-9 20: 75 79 73 335 95 93 67 108 81 80 129 91 107 55 94 149 121 117 135 77 0.999 23.12 6.7 97 96 99 96 350 111.7 0.530 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1036 C18:0 23.4177 2229.3 2.7 scans 90% 341 m/z 0.11% 0.783% 1647 0.9 679 857769 18588291 17068751 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 116 83 0.999 22.89 47.5 93 99 98 99 356 86.0 1.603 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1606 2297.2 3.3 scans 28% 204 m/z (73) 0.92% 0.0386% 1718 0.8 133 108262 0.0489% 916809 897049 1159712 2-1 18: 204 217 205 337 147 103 206 219 338 218 361 191 339 189 101 203 243 319 0.932 24.01 13.7 85 87 68 88 490 0.0 0.000 0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1606 2297.2 3.3 scans 40% 204 m/z 0.95% 0.0506% 1718 0.8 157 104568 0.0641% 1200554 1174678 1520195 2-1 18: 204 217 205 337 147 103 206 219 338 218 361 191 339 189 101 203 243 319 0.721 24.18 -1.9 84 82 78 88 581 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1012 Androsterone 24.23min 24.2468 2305.3 3.3 scans 26% 143 m/z 1.1% 0.0203% 1726 1.3 103 87944 0.0357% 483764 454779 846661 1-0 5: 143 144 156 170 272 0.860 24.23 1.5 86 88 75 86 362 9.3 0.802 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1018 myo-Inositol 25.2296 2398.7 3.5 scans 77% TIC 0.49% 0.266% 1819 1.1 328 201667 0.371% 6325111 5058328 8798633 2-9 0.969 25.21 1.9 97 96 94 100 470 22.6 0.475 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6378 2439.1 3.5 scans 50% 91 m/z 0.78% 0.0492% 1858 1.5 146 127387 0.0618% 1168093 1117281 1465648 4-3 18: 91 117 194 207 92 208 65 193 115 312 104 178 51 118 195 128 313 116 0.945 25.61 2.8 96 97 95 96 312 17.5 1.444 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3165 2506.6 3.2 scans 58% 204 m/z 0.85% 0.0547% 1923 1.3 167 117098 0.225% 1299235 1119310 5336098 10-0 15: 204 73 217 205 147 219 206 218 305 133 191 306 189 101 220 0.965 25.86 45.9 88 93 93 99 361 8.5 0.259 0.461 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5732 2533.1 3.0 scans 53% 512 m/z (218) 1.2% 0.0663% 1947 1.1 186 83144 1574565 1557211 1-0 16: 512 455 247 513 456 514 483 248 263 349 457 497 249 484 423 409 0.967 26.57 -0.0 93 95 86 95 512 61.7 10.985 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 3.0 scans 94% 371 m/z 0.033% 1.87% 1983 0.8 999 2973126 44369544 42744276 1-1 20: 371 372 73 147 129 57 205 203 239 55 373 103 459 71 116 75 145 117 101 85 1.000 26.39 57.4 90 98 98 100 459 125.7 1.589 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN LQC1-N1008 Sucrose 27.4361 2623.0 2.9 scans 62% 361 m/z 0.36% 0.174% 2029 1.1 311 277059 0.183% 4132991 3930452 4340026 1-15 17: 361 217 362 437 363 103 271 218 451 438 169 243 319 364 439 452 219 0.938 27.59 -16.5 98 98 91 98 437 57.9 3.466 -0.155 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7481 2766.4 2.9 scans 93% 399 m/z 0.053% 1.21% 2154 0.8 806 1879114 28700922 27490073 1-1 20: 399 400 73 147 129 57 205 203 103 487 401 55 71 116 145 75 267 117 101 85 1.000 28.19 62.5 89 98 97 100 487 102.9 1.633 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN SQUALENE-N1017 Squalene STD 29.1006 2806.0 3.1 scans 61% 69 m/z 0.47% 0.0962% 2187 1.1 226 210407 2282833 2186678 1-1 19: 69 81 136 137 95 68 121 67 93 123 149 109 107 135 82 70 94 122 53 0.973 29.09 0.9 90 91 95 90 410 10.6 0.220 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8477 2890.1 3.1 scans 44% TIC 1.3% 0.0224% 2258 1.3 152 72796 0.0449% 531641 526699 1064848 1-0 0.972 29.83 2.4 90 91 97 90 408 9.4 0.387 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1038 Hexacosanol 30.1960 2930.9 3.0 scans 6.1% 439 m/z 7.3% 0.00401% 2291 0.9 45 13633 0.00626% 95249 95249 148462 0-0 3: 439 440 441 0.744 30.17 2.8 94 98 59 97 439 30.4 46.704 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4401 2959.9 3.4 scans 56% 193 m/z (204) 0.75% 0.191% 2314 1.1 289 132102 4530378 4319690 2-1 18: 193 119 105 163 120 194 176 91 171 247 515 325 121 106 185 158 195 164 0.978 30.36 9.8 90 92 91 92 529 12.0 0.173 0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4801 2964.6 3.2 scans 30% 57 m/z 1.6% 0.0369% 2318 0.8 133 61973 0.0439% 876102 732871 1041132 2-3 12: 57 71 56 393 85 99 392 394 70 113 84 365 0.980 30.46 2.0 89 89 90 92 393 31.4 5.547 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2271 3053.3 3.2 scans 75% 57 m/z 0.21% 0.352% 2389 1.1 406 468212 0.382% 8369914 7111227 9059509 27-2 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 98 394 58 155 0.989 31.21 1.8 98 97 99 99 393 59.4 2.141 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1048 Hentriacontane 31.5312 3089.5 3.1 scans 72% 57 m/z 0.17% 0.398% 2418 1.0 442 573852 0.419% 9450830 8487154 9937001 5-6 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 58 155 72 112 0.996 31.53 -0.0 99 98 99 98 436 24.7 0.312 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7048 3110.1 >4 scans 19% 204 m/z 1.3% 0.0166% 2435 1.0 120 72279 0.134% 395654 395654 3177943 0-0 10: 204 597 337 217 205 147 129 73 598 206 0.814 31.68 3.5 83 86 79 86 597 15.7 1.717 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8311 3125.1 3.1 scans 71% 502 m/z (199) 0.19% 0.310% 2447 0.9 390 510529 7371786 7097502 1-1 15: 502 237 503 236 238 504 277 221 223 208 239 505 467 262 278 0.987 31.79 4.7 97 98 96 99 502 186.1 22.796 0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.3 scans 75% 329 m/z 0.47% 0.482% 2459 0.9 483 211260 11436016 11048683 1-1 17: 329 129 368 458 353 95 107 330 121 81 145 105 119 328 369 93 91 0.971 31.87 11.2 96 95 94 98 458 70.0 2.103 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1278 3160.3 3.5 scans 54% 57 m/z 0.25% 0.281% 2475 1.2 387 393568 0.519% 6685482 6685482 12308600 0-0 20: 57 71 56 421 55 85 69 83 70 97 420 113 111 127 422 84 141 155 72 393 0.971 32.11 2.1 97 97 97 98 421 84.7 4.776 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3298 3184.3 3.2 scans 30% 57 m/z 0.50% 0.117% 2494 1.2 261 198137 0.193% 2785541 2563955 4577186 1-0 19: 57 71 85 99 69 83 56 97 113 70 127 84 111 98 141 112 126 58 86 0.862 32.33 0.4 81 87 94 90 785 2.9 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1046 Stigmasterol 33.0032 3264.3 3.7 scans 69% TIC 0.19% 1.56% 2558 1.0 789 516764 1.59% 37115318 31912587 37708427 7-1 0.798 32.98 2.5 92 93 93 98 665 55.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1002 Stigmasterol 33.0064 3264.7 3.9 scans 82% 57 m/z (199) 0.17% 2.14% 2558 1.0 863 580550 4.46% 50866302 45809742 105773323 2-1 20: 57 97 109 173 171 283 271 257 185 201 155 227 187 211 243 174 140 172 196 272 0.989 32.42 69.8 82 95 96 97 665 70.6 0.668 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1305 3279.4 3.6 scans 86% TIC 0.052% 1.54% 2570 0.8 842 1912086 3.23% 36674119 36674119 76602653 0-0 0.997 33.10 4.0 89 88 98 91 515 0.0 0.000 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3694 3307.8 3.3 scans 16% 437 m/z (97) 2.6% 0.0610% 2593 0.9 169 38452 0.0962% 1446666 1429311 2281478 0-3 6: 437 529 530 438 439 531 0.824 33.38 -1.1 85 88 73 92 529 29.2 2.977 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN WTF2-N1034 b-Sitosterol 33.4935 3322.5 >4 scans 60% TIC 0.45% 0.307% 2605 0.6 443 218705 1.45% 7288708 6833845 34388188 2-0 0.987 32.88 73.2 82 95 93 96 486 59.2 1.788 0.617 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6124 3336.6 3.6 scans 34% 386 m/z (99) 1.7% 0.200% 2616 1.0 280 57870 0.279% 4766891 4212819 6616762 2-12 6: 386 296 387 379 388 372 0.967 33.58 3.3 81 80 83 92 505 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9113 3372.1 3.6 scans 10% 441 m/z 1.3% 0.0295% 2644 1.2 111 76550 699955 681010 1-1 5: 441 442 308 646 443 0.706 33.80 13.7 90 91 65 94 646 21.4 3.737 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6057 3454.6 3.8 scans 19% 596 m/z (217) 0.79% 0.0798% 2710 1.0 173 125818 1893891 1756397 1-2 11: 596 597 598 316 599 302 318 356 300 304 600 0.935 34.47 15.9 95 97 86 99 596 92.4 28.622 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 2.9 scans 67% TIC 0.63% 0.0339% 27 2.0 174 156971 0.108% 1115840 926337 3547643 9-0 0.975 6.63 -15.0 98 97 93 97 295 55.2 10.084 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9683 1142.9 >6 scans 37% 147 m/z (131) 4.4% 0.00918% 179 1.8 67 22710 0.297% 301804 297782 9756018 1-0 4: 147 73 148 66 0.949 7.79 10.3 80 78 81 93 219 5.8 0.761 0.173 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1192 Contamination 8.1208 1152.0 2.7 scans 96% 73 m/z 0.11% 0.446% 193 0.9 527 885778 14672099 12760260 15-0 20: 73 147 133 220 235 148 59 146 72 86 89 160 74 75 149 100 103 134 131 236 0.979 7.99 7.8 97 96 96 96 235 107.3 4.142 0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1188 Contamination 8.3155 1163.5 2.7 scans 75% TIC 1.8% 0.0248% 212 1.6 127 52841 0.0330% 817545 656702 1084002 1-13 0.949 8.41 -5.9 97 95 73 98 369 34.5 7.344 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1186 Phosphate 8.6311 1182.2 2.2 scans 98% 241 m/z 0.051% 0.360% 242 0.9 580 1954412 11832584 11582960 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 137 119 121 134 164 181 1.000 8.56 4.2 100 99 99 100 299 0.0 0.000 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1180 Benzoic acid 9.7612 1248.6 3.4 scans 33% 179 m/z 10% 0.00487% 349 0.6 47 9597 0.00541% 160039 106531 177711 4-0 4: 179 105 135 194 0.914 9.76 0.1 90 91 76 91 194 8.4 3.217 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LACTIC~1-N1034 Glycerol 10.0558 1265.8 >5 scans 12% 218 m/z (299) 1.2% 0.0702% 377 0.9 154 83197 0.124% 2307583 2152225 4073220 1-0 3: 218 219 217 0.793 10.11 -3.2 85 91 58 90 293 12.5 0.658 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN VEN77_S6-N1002 Glycerol 10.1116 1269.1 5.3 scans 96% 299 m/z 0.011% 4.38% 383 0.4 1348 8563989 144162469 143911031 2-0 20: 299 300 73 314 301 133 283 207 315 147 211 193 191 316 205 135 302 74 225 75 1.000 10.09 1.1 98 97 93 99 299 749.1 31.033 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7271 1305.2 3.4 scans 82% 199 m/z (69) 1.3% 0.0590% 441 0.6 171 72843 0.0650% 1939326 1733491 2135156 11-4 16: 199 75 117 73 145 132 129 200 131 118 61 201 76 74 146 155 1.000 10.73 -0.4 94 94 96 99 209 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0586 1325.2 3.4 scans 65% TIC 4.0% 0.0124% 473 0.6 88 24771 0.0301% 408894 405997 988741 0-2 0.943 11.06 -0.3 92 91 86 93 285 26.7 9.149 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1162 Fumaric acid 11.3258 1341.3 >3 scans 41% TIC 10% 0.00171% 498 1.2 54 9977 0.411% 56161 56161 13500753 0-0 0.956 11.39 -4.0 85 87 57 87 245 25.6 22.354 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4142 1346.6 5.5 scans 76% 57 m/z (84) 0.67% 0.100% 506 0.7 185 149012 0.101% 3314550 3034260 3317703 4-1 10: 57 97 115 145 127 129 111 109 128 87 0.996 11.45 -1.9 96 97 97 98 145 54.5 8.654 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4605 1349.4 2.9 scans 95% TIC 0.033% 0.892% 511 0.5 735 2973726 29301289 26076575 3-3 0.996 10.96 30.4 96 97 96 98 161 192.9 6.895 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1146 Malic acid 13.4765 1474.0 2.5 scans 93% 73 m/z 0.19% 0.174% 702 1.0 372 505987 5724487 5547889 1-1 20: 73 147 233 245 133 189 148 190 74 75 175 149 191 335 101 234 55 217 117 177 0.997 13.62 -8.8 99 98 97 98 350 8.8 0.056 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 2.8 scans 75% 243 m/z 1.1% 0.0240% 822 0.9 137 87385 791513 791506 1-0 13: 243 244 103 89 83 97 245 101 61 111 76 59 74 0.973 14.24 32.6 94 96 92 97 243 75.7 30.470 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1943 1655.4 2.9 scans 60% 290 m/z 1.1% 0.0242% 961 1.9 121 89038 796550 748761 1-3 9: 290 291 292 392 158 144 115 393 293 0.883 16.28 -5.7 94 91 85 98 392 17.1 1.992 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5468 1679.8 2.8 scans 81% 55 m/z 0.82% 0.0539% 994 1.3 200 121273 0.0790% 1770728 1639175 2595035 0-5 18: 55 69 83 97 56 70 84 111 82 98 127 113 68 96 140 67 54 125 0.975 16.63 -5.6 95 95 93 94 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1010 Glycerol-P 17.4875 1747.5 3.0 scans 98% 357 m/z 0.032% 2.38% 1084 0.5 1275 3054612 78342627 76489617 1-1 20: 357 299 73 358 315 147 445 300 370 211 359 387 301 103 101 256 133 129 328 218 1.000 16.97 38.0 96 99 98 99 445 205.0 2.585 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN TAB_REP6-N1048 Citric acid 18.2451 1802.9 2.9 scans 55% 273 m/z 2.3% 0.0219% 1156 1.0 123 42579 0.0268% 722177 703842 880341 0-1 19: 273 147 363 274 347 375 465 148 275 211 149 376 364 231 156 221 348 257 183 0.953 18.24 0.1 95 94 89 97 465 17.5 2.014 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4355 1817.4 4.2 scans 89% TIC 0.028% 3.37% 1174 0.5 1270 3504727 111015595 106886297 1-3 0.937 17.91 39.2 94 99 93 99 327 125.1 0.971 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1012 Phytol 18.5723 1827.9 3.3 scans 97% 68 m/z 0.065% 1.73% 1187 0.5 1039 1536729 1.91% 57105602 56606639 62740724 1-1 20: 68 95 82 123 57 69 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.8 94 98 99 99 278 61.5 0.350 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1016 Hexadecene 18.6312 1832.4 2.8 scans 92% TIC 0.24% 0.243% 1192 1.5 422 414334 5.38% 7990061 7802058 176725181 0-1 0.997 18.10 40.0 84 85 92 97 280 62.1 2.169 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6544 1834.1 2.7 scans 27% 285 m/z 1.8% 0.0279% 1194 1.0 142 52828 0.388% 917385 876991 12745236 1-2 14: 285 117 132 129 286 145 118 300 61 287 116 241 130 257 0.998 18.73 -5.6 94 94 82 94 300 14.5 1.037 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1002 Phytol 18.8min 18.8595 1849.8 2.7 scans 93% 81 m/z 0.35% 0.258% 1214 1.0 453 282233 8494618 8031465 1-3 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 97 124 109 53 110 56 278 0.997 18.84 1.5 97 96 99 97 278 52.2 1.331 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9469 1856.4 2.7 scans 79% 73 m/z 0.69% 0.0587% 1222 1.1 213 143513 0.0608% 1929507 1880827 1997192 3-0 20: 73 103 307 217 147 308 277 218 133 104 309 189 205 74 117 89 364 219 148 172 0.993 18.40 41.4 92 96 96 98 364 19.7 0.854 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1018 Fructose 19.0658 1865.5 2.9 scans 47% 73 m/z 1.0% 0.0424% 1234 1.2 169 94156 0.0752% 1394009 1239214 2470211 1-6 20: 73 103 307 217 147 308 277 218 309 104 364 189 205 74 89 262 133 148 219 117 0.992 18.52 41.2 88 91 93 95 364 17.5 1.072 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1068 1868.6 3.0 scans 96% 81 m/z 0.19% 0.562% 1237 0.7 617 521504 18486773 18486773 0-0 20: 81 82 95 68 57 123 69 55 83 79 67 71 96 97 109 124 278 111 53 56 1.000 18.58 40.2 93 96 98 99 278 84.7 1.885 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN BRA4_R~2-N1004 Galactose 19.2689 1881.0 2.8 scans 70% 319 m/z 1.0% 0.0415% 1253 0.9 178 93525 0.0463% 1365667 1365667 1520888 0-0 16: 319 205 160 147 320 217 103 321 206 229 207 189 161 148 89 157 0.992 19.36 -7.1 94 93 91 95 364 10.9 0.374 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9212 1932.4 3.2 scans 89% TIC 0.24% 0.183% 1315 1.2 308 403709 0.234% 6034949 5002158 7686560 0-2 0.999 19.91 0.7 96 94 95 99 361 14.4 0.217 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2821 1961.4 2.6 scans 40% 204 m/z 1.9% 0.0140% 1349 1.0 106 52098 459867 418238 2-1 11: 204 191 205 217 192 206 189 218 193 148 219 0.950 20.41 -10.6 87 87 86 87 217 26.1 6.005 -0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7988 2003.1 3.0 scans 95% 75 m/z 0.15% 0.751% 1398 0.8 728 629134 0.787% 24672625 24064177 25851806 1-1 20: 75 73 79 67 93 95 91 108 80 129 55 81 94 117 121 307 77 135 107 105 0.999 20.27 42.9 82 82 94 97 322 49.1 0.456 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1038 C16:0 21.1628 2033.7 3.4 scans 98% 313 m/z 0.026% 3.09% 1433 0.5 1368 3816687 101681263 101501456 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 69 57 118 201 74 315 116 83 1.000 20.62 45.4 94 99 99 100 328 157.0 1.319 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6679 2076.1 2.7 scans 36% 305 m/z 4.1% 0.0124% 1481 0.9 98 24067 408342 392074 4-2 17: 305 217 318 191 306 319 265 218 307 192 219 367 291 320 293 433 266 0.991 21.75 -6.8 87 88 73 88 507 6.4 0.427 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9677 2101.4 2.9 scans 82% 327 m/z (120) 0.58% 0.142% 1509 1.2 296 170530 0.155% 4678183 4106805 5091525 11-2 17: 327 117 73 75 132 129 145 328 342 55 329 201 133 131 118 74 146 0.995 22.33 -31.6 94 97 97 99 342 38.0 1.643 -0.362 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1040 Phytol 22.6254 2158.8 3.4 scans 92% 143 m/z 0.053% 0.536% 1572 1.0 569 1870695 17627269 16526776 5-1 20: 143 73 75 144 123 81 57 55 145 124 95 69 103 97 71 82 83 67 74 96 0.999 22.08 47.3 80 82 90 96 181 9.8 0.030 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2020 2209.6 6.6 scans 94% TIC 0.034% 8.31% 1627 0.2 1634 2879914 9.98% 273142492 269260903 327828496 0-1 0.997 23.12 7.8 97 97 98 96 350 115.5 0.500 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1036 C18:0 23.4166 2229.2 2.6 scans 90% TIC 0.097% 0.660% 1647 1.3 706 1025632 0.692% 21704203 19654434 22731194 2-3 0.983 22.89 47.4 93 98 95 99 356 93.5 1.752 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7228 2257.2 2.8 scans 9.9% 163 m/z 1.9% 0.00840% 1676 1.2 78 50880 0.0127% 276185 246036 417177 2-3 4: 163 331 88 332 0.526 23.72 0.3 86 88 49 89 331 22.3 8.148 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1004 Prostaglandin 23.7607 2260.7 >3 scans 40% TIC 1.6% 0.0132% 1680 2.3 158 62171 0.205% 434056 434056 6733952 0-0 0.988 23.76 0.3 81 81 75 81 360 12.9 0.671 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1542 2296.6 3.3 scans 35% 204 m/z 0.76% 0.0336% 1717 0.9 151 130490 0.0472% 1104796 1055269 1550451 0-4 18: 204 205 337 217 147 103 206 219 338 218 339 191 361 203 189 101 220 291 0.665 24.18 -2.5 89 91 71 91 581 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2436 2305.0 6.8 scans 42% 143 m/z 0.55% 0.0381% 1726 1.4 152 181767 0.0621% 1252115 1221465 2039895 1-0 8: 143 144 156 272 219 170 362 115 0.828 24.23 1.2 91 92 81 92 362 10.8 0.508 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1018 myo-Inositol 25.2243 2398.2 3.5 scans 72% TIC 0.60% 0.134% 1819 1.1 293 166593 0.268% 4434461 4434461 8803411 0-0 0.952 25.21 1.4 97 96 94 99 470 19.8 0.457 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6336 2438.7 3.3 scans 54% 91 m/z 0.61% 0.0447% 1858 1.4 163 162798 1469387 1324800 2-3 16: 91 117 194 207 92 208 115 193 312 65 104 178 118 128 102 63 0.981 25.61 2.4 97 97 95 97 312 19.5 1.432 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3123 2506.1 3.1 scans 61% 204 m/z 0.44% 0.0829% 1922 1.4 228 222412 0.285% 2726166 2255711 9361836 22-0 10: 204 217 205 147 219 206 218 305 148 101 0.979 25.86 45.4 85 87 91 99 361 10.5 0.210 0.456 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5701 2532.8 2.9 scans 42% 512 m/z (218) 1.0% 0.0538% 1947 1.0 194 91180 1769454 1755919 0-1 16: 512 455 247 513 456 514 483 349 263 457 497 484 423 409 235 381 0.950 26.57 -0.3 94 95 88 96 512 61.3 10.022 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9478 2571.8 2.9 scans 93% 371 m/z 0.031% 1.43% 1983 0.6 1009 3210947 47189975 46102952 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 103 71 55 116 145 75 117 101 313 1.000 26.39 57.2 90 98 97 100 459 129.8 1.662 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1014 Sucrose 27.4286 2622.2 2.9 scans 40% 361 m/z (397) 0.68% 0.0729% 2028 1.0 219 145149 2396429 2273242 1-4 11: 361 362 437 363 271 451 438 439 364 452 272 0.952 27.49 -6.5 95 96 90 97 437 41.1 3.512 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN LQC1-N1010 Sucrose 27.4286 2622.2 2.9 scans 39% 361 m/z 0.68% 0.0663% 2028 1.0 215 145219 2179386 2067356 1-4 11: 361 362 437 363 271 451 438 439 364 452 272 0.944 27.58 -16.0 97 97 88 97 437 41.2 3.658 -0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7439 2765.9 3.0 scans 92% 399 m/z 0.051% 0.927% 2153 0.7 799 1927813 30463902 29607874 1-1 20: 399 400 73 147 129 57 205 203 487 103 55 401 71 116 145 75 117 85 101 69 1.000 28.19 62.0 89 98 97 100 487 104.7 1.717 0.551 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN SQUALENE-N1017 Squalene STD 29.0943 2805.3 3.0 scans 52% 69 m/z 0.55% 0.0561% 2187 1.2 205 180389 1845140 1763371 1-1 18: 69 81 136 68 137 95 121 93 67 123 109 149 107 82 135 70 94 53 0.982 29.09 0.2 89 89 94 88 410 9.5 0.215 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8434 2889.6 3.1 scans 37% TIC 1.4% 0.0112% 2258 0.9 141 67622 0.0220% 368675 368675 722668 0-0 0.966 29.83 1.9 86 89 95 87 408 8.0 0.318 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1038 Hexacosanol 30.1907 2930.2 3.1 scans 5.5% 439 m/z 6.1% 0.00324% 2291 0.9 46 16278 0.00505% 106666 94301 165885 0-1 3: 439 440 441 0.603 30.17 2.1 93 97 53 97 439 32.7 49.867 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4348 2959.2 3.0 scans 64% 193 m/z (204) 0.48% 0.176% 2314 1.1 350 206089 5801269 5793539 0-1 13: 193 119 105 163 120 91 194 176 171 247 121 515 325 0.985 30.36 9.1 92 93 92 94 529 14.2 0.165 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4748 2964.0 3.1 scans 40% 57 m/z 0.86% 0.0503% 2318 0.8 182 115821 0.0590% 1654035 1489901 1938064 1-3 13: 57 71 56 85 393 99 394 70 392 127 84 365 86 0.979 30.46 1.4 93 93 93 93 393 43.4 5.670 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2239 3053.0 3.1 scans 79% 57 m/z 0.13% 0.364% 2389 0.9 505 730402 0.409% 11974271 11590712 13435056 2-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 394 421 155 98 0.987 31.21 1.5 98 97 99 100 393 76.6 2.299 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1048 Hentriacontane 31.5259 3088.8 4.0 scans 65% TIC 0.21% 0.336% 2418 0.6 396 456995 0.495% 11062170 9146636 16260031 4-0 0.985 31.53 -0.7 97 97 98 97 436 22.0 0.309 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7016 3109.7 >5 scans 14% TIC 1.6% 0.00375% 2434 0.8 111 59597 0.109% 123325 113405 3580492 0-1 0.856 31.68 3.1 83 84 76 87 597 15.2 1.870 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8289 3124.8 3.0 scans 75% 502 m/z (85) 0.095% 0.424% 2447 0.8 528 1043547 13946689 13580992 1-1 15: 502 237 503 236 504 238 277 221 239 223 505 208 193 235 222 0.994 31.79 4.4 98 99 97 100 502 261.5 24.499 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.5 scans 74% TIC 0.31% 0.496% 2459 1.1 584 318754 0.974% 16304404 16296193 31994484 1-0 0.926 31.87 11.2 93 91 93 98 458 81.8 1.966 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1267 3160.2 3.3 scans 48% 57 m/z (199) 0.14% 0.399% 2475 1.1 496 708681 0.631% 13120916 12999926 20727433 0-3 20: 57 56 85 55 83 69 97 70 420 113 111 127 84 141 393 125 58 82 98 86 0.981 32.11 2.0 94 96 97 98 421 113.2 5.199 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1046 Stigmasterol 33.0011 3264.0 3.4 scans 47% 83 m/z 0.15% 0.956% 2558 0.8 771 642051 31406390 30217017 1-2 20: 83 129 255 394 484 55 69 81 159 133 355 105 119 351 107 93 95 485 91 379 0.678 32.98 2.2 91 94 80 96 665 5.6 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1210 3278.3 3.2 scans 81% TIC 0.062% 0.805% 2569 1.0 753 1588960 2.98% 26470687 26470687 97888669 0-0 0.997 33.10 2.9 87 86 97 89 515 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3693 3307.8 3.2 scans 26% 437 m/z (97) 1.2% 0.126% 2593 0.6 260 78642 4169810 3648877 1-4 9: 437 529 438 530 439 531 450 440 485 0.896 33.38 -1.1 84 85 81 94 529 40.6 2.438 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9091 3371.9 3.4 scans 3.4% 441 m/z 2.7% 0.00844% 2644 0.9 71 36144 277341 277341 0-1 7: 441 442 646 308 511 510 647 0.785 33.80 13.5 81 79 54 94 646 14.6 4.207 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6004 3454.0 3.9 scans 14% 596 m/z 0.43% 0.0770% 2710 1.1 201 228385 0.0781% 2531501 2431311 2565471 2-1 15: 596 597 598 331 316 599 302 318 356 300 342 304 354 600 581 0.854 34.47 15.3 95 96 74 98 596 122.3 37.085 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN EXBLK5S-N1006 Contamination 6.3646 1047.9 2.2 scans 66% 207 m/z 0.62% 0.0260% 26 1.2 168 159742 1014145 1013252 0-1 14: 207 295 208 209 296 191 297 279 193 189 210 177 192 247 0.962 6.63 -15.4 97 96 89 97 295 55.0 10.787 -0.260 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1192 Contamination 7.9713 1143.1 2.3 scans 97% 147 m/z 0.058% 0.539% 179 1.0 739 1716565 21016800 20385682 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 75 100 103 149 131 134 236 0.996 7.99 -1.1 99 98 97 99 235 152.8 4.274 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1026 Cadaverine NC 8.1207 1152.0 2.4 scans 67% 174 m/z 1.4% 0.0137% 193 1.1 106 68626 0.0865% 535127 430555 3368833 8-5 12: 174 175 86 216 142 176 100 160 59 130 131 217 1.000 7.74 22.8 96 95 92 97 216 26.6 6.341 0.385 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1188 Contamination 8.3006 1162.6 2.3 scans 65% 281 m/z 2.8% 0.00884% 210 1.1 95 34537 344548 329202 1-4 13: 281 147 369 282 283 370 265 207 371 148 249 191 284 0.943 8.41 -6.8 95 94 76 96 369 28.7 9.063 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1186 Phosphate 8.4995 1174.4 2.4 scans 95% 241 m/z 0.044% 0.385% 229 1.0 613 2228165 15003124 14174285 1-1 20: 241 242 133 73 211 163 256 243 135 195 98 59 89 147 119 137 134 121 75 212 1.000 8.56 -3.6 100 99 99 100 299 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1180 Benzoic acid 9.6706 1243.3 2.5 scans 36% 179 m/z 5.6% 0.00429% 341 1.0 62 17865 0.00455% 167245 167245 177205 0-0 6: 179 105 135 180 106 194 0.858 9.76 -5.2 92 92 84 97 194 9.8 2.450 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN VEN77_S6-N1002 Glycerol 10.0452 1265.2 5.8 scans 93% TIC 0.011% 4.17% 376 0.2 1354 8721665 162527697 157723285 1-1 0.966 10.09 -2.8 99 97 93 99 299 746.7 30.608 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LACTIC~1-N1034 Glycerol 10.0473 1265.3 5.8 scans 29% 299 m/z (300) 0.034% 1.29% 377 0.3 754 2925899 50553697 48824830 1-1 20: 299 147 205 133 117 103 218 191 206 148 131 204 149 129 177 219 203 101 105 175 0.724 10.11 -3.7 84 85 86 93 293 33.2 0.195 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6639 1301.4 2.6 scans 76% 199 m/z 1.0% 0.0554% 435 1.0 227 99944 2159018 2080657 1-1 17: 199 75 117 145 132 129 200 131 67 81 118 76 61 201 72 53 155 0.830 10.73 -4.2 91 86 81 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0027 1321.8 2.5 scans 85% 184 m/z 1.2% 0.0309% 467 1.0 172 83173 1203975 1162492 0-1 19: 184 134 285 73 174 77 86 100 227 286 59 185 172 186 135 130 175 110 287 0.998 11.06 -3.7 98 97 93 99 285 49.6 8.281 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3762 1344.3 2.9 scans 19% 57 m/z (84) 0.36% 0.0843% 503 0.9 246 275590 0.0894% 3286318 3016852 3481777 3-2 19: 57 97 115 145 127 129 69 59 109 111 128 72 58 98 87 71 201 114 113 0.940 11.45 -4.2 95 99 95 98 145 74.2 9.090 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1024 Contamination 10.96min 11.3994 1345.7 3.4 scans 93% TIC 0.030% 0.854% 505 0.7 771 3313797 33283277 30188902 2-5 0.993 10.96 26.7 97 98 97 98 161 201.7 6.842 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6424 1360.4 2.6 scans 44% 147 m/z 7.5% 0.00283% 528 1.0 54 13312 0.00433% 110439 102588 168636 2-2 7: 147 247 101 148 116 103 87 0.940 11.79 -8.5 82 83 74 83 262 6.1 1.256 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN TAB_REP6-N1026 Malic acid 13.4501 1472.4 2.5 scans 94% 73 m/z 0.20% 0.134% 700 1.0 364 496455 5236096 5180481 1-0 20: 73 147 233 245 133 189 190 148 75 74 175 191 101 335 149 55 234 59 265 217 0.999 13.53 -5.2 99 98 97 98 335 44.2 1.473 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1138 Pyroglutamic acid 13.9467 1503.8 2.9 scans 30% 156 m/z (139) 5.6% 0.00266% 747 1.0 48 17590 103751 103751 1-0 4: 156 157 230 258 0.979 14.11 -10.9 81 80 73 91 273 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1044 Dodecanol 14.7138 1554.7 2.7 scans 90% TIC 0.39% 0.0628% 820 0.8 233 250554 0.0809% 2448107 2280388 3150735 1-3 0.984 14.24 31.3 97 99 97 99 243 126.6 29.581 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1763 1654.1 2.9 scans 85% 290 m/z (257) 0.30% 0.0726% 959 1.9 231 329328 2829507 2817938 0-2 14: 290 291 292 158 392 144 131 115 293 393 100 394 172 160 0.971 16.28 -7.0 96 96 95 99 392 32.4 1.962 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5330 1678.9 2.7 scans 93% TIC 0.26% 0.147% 993 1.2 361 376792 0.197% 5763987 5386183 7672372 4-0 1.000 16.63 -6.5 99 98 99 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1010 Glycerol-P 17.4769 1746.7 3.1 scans 98% 357 m/z 0.028% 2.33% 1083 0.5 1332 3461186 90833513 87920461 1-1 20: 357 299 73 358 315 445 147 370 300 359 211 387 301 103 256 101 133 129 328 218 0.999 16.97 37.2 96 99 98 99 445 216.3 2.642 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN TAB_REP6-N1048 Citric acid 18.2302 1801.8 2.8 scans 36% 273 m/z 3.0% 0.0116% 1154 1.0 101 32593 0.0119% 454820 436055 463458 0-1 15: 273 363 347 375 274 465 275 211 364 156 257 183 376 231 348 0.735 18.24 -1.0 90 91 60 95 465 15.6 2.355 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4207 1816.3 4.2 scans 95% TIC 0.028% 3.02% 1172 0.5 1286 3475397 117677991 110433657 1-3 0.993 17.91 38.1 96 99 98 99 327 122.7 0.911 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1012 Phytol 18.5575 1826.7 3.5 scans 97% 68 m/z 0.064% 1.57% 1185 0.5 1031 1546321 1.86% 61308351 59825247 72439653 2-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 70 110 1.000 18.04 38.6 94 98 99 99 278 61.9 0.361 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1016 Hexadecene 18.6185 1831.4 2.8 scans 91% TIC 0.20% 0.241% 1191 1.2 450 490780 4.65% 9396143 8611962 181099131 0-4 0.994 18.10 39.0 84 84 93 97 280 67.7 2.264 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6406 1833.1 2.6 scans 31% 285 m/z 1.7% 0.0226% 1193 1.1 146 58783 0.318% 881010 831386 12384844 1-2 13: 285 117 132 129 286 145 287 118 61 201 241 300 130 0.995 18.73 -6.6 94 94 82 94 300 14.0 0.920 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1002 Phytol 18.8min 18.8468 1848.8 2.7 scans 92% 81 m/z 0.33% 0.244% 1213 1.0 460 295895 9530825 9062726 1-3 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 124 97 109 53 278 111 56 0.992 18.84 0.5 99 98 99 99 278 53.0 1.326 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1072 Fructose 18.9320 1855.3 2.7 scans 78% 73 m/z 0.59% 0.0578% 1221 0.9 229 166830 0.0612% 2253528 2107974 2383498 1-3 20: 73 103 307 217 147 308 277 218 133 309 104 189 74 364 117 205 89 172 148 219 0.994 19.03 -7.7 93 92 93 92 364 21.8 0.914 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN BRA4_R~2-N1004 Galactose 19.2519 1879.7 2.7 scans 73% 73 m/z 0.81% 0.0492% 1251 1.0 203 122272 0.0891% 1919120 1800801 3470093 4-0 20: 73 319 205 160 147 320 217 321 103 206 229 117 161 133 74 189 207 148 157 89 0.983 19.36 -8.4 96 95 92 97 364 13.1 0.419 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1068 Galactopyranose 19.3308 1885.7 2.9 scans 55% 204 m/z 1.5% 0.0271% 1259 1.4 146 65735 1058447 940584 1-3 12: 204 191 217 205 206 189 218 228 303 243 219 305 0.875 19.32 1.2 81 79 80 86 435 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9085 1931.4 2.8 scans 81% 204 m/z 0.22% 0.115% 1314 1.1 305 438780 0.127% 4479593 4142559 4946148 1-2 17: 204 217 205 159 147 206 129 218 103 133 189 191 219 305 160 291 203 0.981 19.91 -0.3 96 94 93 99 361 14.4 0.224 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2694 1960.4 2.7 scans 23% 204 m/z 3.7% 0.00455% 1348 0.9 65 26590 177435 154736 2-3 5: 204 191 205 192 206 0.853 20.41 -11.6 82 84 65 83 217 17.3 7.124 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7871 2002.1 2.9 scans 95% TIC 0.13% 0.696% 1397 0.9 771 730152 0.769% 27106919 26539068 29949512 1-2 0.999 20.27 41.9 82 82 94 97 322 53.3 0.478 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1038 C16:0 21.1522 2032.8 3.4 scans 98% 117 m/z 0.024% 2.82% 1432 0.5 1399 4128278 110147687 110131618 1-0 20: 117 313 73 75 132 129 145 314 55 131 118 133 57 328 69 74 201 116 315 269 1.000 20.62 44.5 94 99 99 100 328 159.0 1.294 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6551 2075.1 2.8 scans 34% 305 m/z 4.0% 0.0113% 1480 0.9 98 24961 0.0298% 440947 417890 1160592 10-2 16: 305 217 318 191 306 265 319 432 266 367 320 219 192 433 291 293 0.981 21.75 -7.8 89 89 73 89 507 6.6 0.449 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9550 2100.3 3.0 scans 81% 327 m/z 0.53% 0.111% 1508 1.2 306 187735 4342386 4128021 2-1 15: 327 117 75 132 129 145 328 342 118 329 131 201 133 283 299 0.991 22.33 -32.7 95 96 96 99 342 38.0 1.545 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1040 Phytol 22.6147 2157.9 3.4 scans 92% 143 m/z 0.048% 0.494% 1571 1.1 593 2074590 19246489 18201252 4-1 20: 143 73 75 144 123 81 57 55 145 69 124 95 103 71 82 97 67 83 74 96 0.996 22.08 46.4 80 82 90 96 181 10.6 0.032 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1966 2209.1 7.4 scans 93% 79 m/z 0.035% 7.74% 1626 0.2 1616 2841208 8.85% 301600503 297989454 344672541 0-1 20: 79 75 73 95 93 108 67 80 129 81 91 107 55 121 94 117 77 122 145 105 0.997 23.12 7.3 96 95 98 95 350 119.6 0.548 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1036 C18:0 23.4060 2228.2 2.8 scans 89% TIC 0.10% 0.578% 1646 1.2 694 988665 0.608% 22549417 20124374 23679198 2-3 0.984 22.89 46.4 93 98 94 99 356 90.2 1.690 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7122 2256.2 2.8 scans 42% 163 m/z (337) 0.41% 0.0548% 1675 1.1 215 240211 2135455 2046210 1-4 8: 163 331 164 165 332 88 90 60 0.935 23.72 -0.7 93 94 92 96 331 47.7 4.910 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1004 Prostaglandin 23.7553 2260.2 3.1 scans 40% 169 m/z (95 163) 1.8% 0.0349% 1679 1.3 168 53359 0.0883% 1359946 1359946 3438936 0-0 18: 169 231 143 156 195 182 170 221 317 181 183 360 196 232 345 209 212 223 0.948 23.76 -0.2 82 86 83 88 360 13.2 0.620 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1404 2295.4 3.3 scans 42% 204 m/z 0.60% 0.0441% 1716 0.9 183 165723 0.0576% 1718377 1632567 2243292 1-3 18: 204 205 217 147 337 103 206 219 338 218 191 361 339 148 101 203 243 362 0.786 24.18 -3.7 91 92 85 93 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2299 2303.7 6.7 scans 32% 143 m/z 0.56% 0.0242% 1724 1.2 143 175941 0.0458% 944646 918579 1783729 1-0 6: 143 144 156 272 170 219 0.862 24.23 -0.1 90 92 78 90 362 10.7 0.556 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1018 myo-Inositol 25.2094 2396.8 4.3 scans 61% TIC 0.81% 0.0853% 1817 1.2 238 123209 0.179% 3324383 3120833 6971343 1-0 0.938 25.21 0.0 97 96 91 99 470 15.6 0.433 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6230 2437.6 3.1 scans 49% 91 m/z 0.59% 0.0361% 1857 1.3 164 168673 1409192 1263132 3-3 15: 91 117 194 207 208 92 115 312 65 193 104 118 51 195 63 0.984 25.61 1.3 97 97 96 97 312 19.7 1.452 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3006 2504.9 2.9 scans 51% 204 m/z 0.39% 0.0772% 1921 1.0 240 254788 3009786 2229475 22-0 8: 204 217 205 219 206 218 305 101 0.964 25.86 44.2 85 88 91 99 361 13.5 0.320 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5552 2531.2 2.8 scans 51% 512 m/z 0.44% 0.121% 1945 1.0 314 226589 4729900 4631859 1-0 16: 512 455 247 513 456 514 483 248 263 349 207 457 497 484 423 515 0.956 26.57 -1.9 98 98 90 99 512 106.0 11.379 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9287 2569.8 2.7 scans 87% 371 m/z 0.043% 0.791% 1981 0.8 849 2302093 30839214 29861883 1-1 19: 371 372 147 57 129 205 203 239 459 373 55 71 103 116 75 145 101 117 85 1.000 26.39 55.2 90 97 97 100 459 108.1 1.628 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1014 Sucrose 27.4138 2620.6 2.7 scans 44% 361 m/z (397) 0.39% 0.0970% 2027 1.0 286 253526 3780891 3366036 1-11 10: 361 362 437 363 271 451 438 439 364 452 0.963 27.49 -8.1 96 97 93 98 437 53.7 3.533 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN LQC1-N1010 Sucrose 27.4138 2620.6 2.7 scans 42% 361 m/z 0.39% 0.0859% 2027 1.0 279 253381 3347880 2980537 1-11 10: 361 362 437 363 271 451 438 439 364 452 0.959 27.58 -17.6 98 97 89 98 437 53.6 3.685 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7238 2763.6 2.8 scans 90% 399 m/z 0.078% 0.480% 2152 0.9 638 1278400 18698848 18697261 1-0 19: 399 400 73 147 129 57 205 203 401 487 103 55 71 116 145 117 267 101 85 0.999 28.19 59.7 89 98 97 100 487 81.6 1.638 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN SQUALENE-N1017 Squalene STD 29.0815 2803.9 3.7 scans 60% TIC 0.42% 0.0478% 2185 1.3 237 233689 0.102% 1862385 1852423 3972497 1-0 0.987 29.09 -1.2 91 91 95 90 410 11.4 0.232 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8275 2887.8 3.0 scans 34% 57 m/z 1.3% 0.0223% 2256 1.4 150 76242 0.0269% 868640 852887 1047649 3-0 16: 57 71 85 99 56 113 70 84 127 86 155 141 140 58 112 98 0.974 29.83 0.1 89 90 96 91 408 8.7 0.331 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1038 Hexacosanol 30.1758 2928.5 2.9 scans 5.5% 439 m/z 5.2% 0.00343% 2289 0.9 52 19209 0.00527% 133870 133870 205246 0-0 3: 439 440 441 0.639 30.17 0.4 94 98 63 98 439 35.0 44.961 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4210 2957.6 3.0 scans 53% 193 m/z (204 57) 0.89% 0.0910% 2313 1.0 263 112025 3544885 3431264 2-0 15: 193 119 105 163 120 194 176 247 171 325 106 158 307 516 164 0.967 30.36 7.5 86 90 91 91 529 11.7 0.196 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4610 2962.3 3.0 scans 38% 57 m/z 0.84% 0.0418% 2317 0.7 186 118601 0.0515% 1628777 1535653 2005722 0-2 15: 57 71 56 85 393 392 99 70 394 113 127 84 58 365 364 0.971 30.46 -0.3 96 96 94 96 393 45.2 5.929 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2122 3051.6 3.0 scans 77% 57 m/z 0.12% 0.311% 2388 0.9 513 770169 12124870 11870858 1-1 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 84 141 155 394 98 421 0.989 31.21 0.1 98 97 99 100 393 78.6 2.347 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1048 Hentriacontane 31.5132 3087.3 3.1 scans 57% 57 m/z 0.22% 0.198% 2417 0.8 379 449829 0.210% 7738088 6555127 8178670 2-5 19: 57 71 85 55 99 83 56 113 97 70 127 84 111 141 98 112 86 155 126 0.997 31.53 -2.2 94 93 97 95 436 22.4 0.351 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6878 3108.1 3.5 scans 17% 204 m/z 1.2% 0.0115% 2433 1.2 136 82604 0.101% 449663 449663 3933551 0-0 14: 204 217 597 337 205 73 599 598 191 129 147 218 206 309 0.879 31.68 1.5 85 86 81 88 597 18.5 1.846 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8130 3122.9 3.0 scans 66% 502 m/z (85) 0.13% 0.246% 2445 0.9 449 752569 9600397 9595868 0-1 14: 502 237 503 236 504 238 277 221 208 223 239 505 467 278 0.988 31.79 2.5 97 98 96 99 502 219.3 23.886 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9488 3139.0 3.5 scans 72% TIC 0.28% 0.452% 2458 0.9 605 351222 0.740% 17607504 17065756 28820077 1-1 0.921 31.87 9.6 95 94 94 98 458 85.3 1.984 0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1077 3157.9 3.7 scans 49% 421 m/z (199) 0.12% 0.472% 2473 1.3 555 824091 0.822% 18397637 18397637 32013653 0-0 10: 421 99 422 100 309 198 168 338 434 433 0.978 32.11 -0.3 93 94 97 98 421 134.8 5.893 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1046 Stigmasterol 32.9915 3262.9 3.4 scans 44% 83 m/z 0.14% 0.861% 2557 0.8 789 698909 33533619 32019156 1-3 19: 83 129 255 55 394 484 81 69 133 159 119 351 105 355 93 107 145 95 485 0.695 32.98 1.1 91 94 80 95 665 5.6 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1093 3276.9 3.3 scans 76% TIC 0.064% 0.627% 2568 1.2 739 1545041 2.67% 24454875 24454875 103985953 0-0 0.997 33.10 1.5 81 78 96 88 515 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3566 3306.2 3.4 scans 27% 437 m/z (97) 1.0% 0.142% 2592 0.6 289 93490 5530737 5094073 1-3 7: 437 529 438 530 439 440 453 0.912 33.38 -2.7 84 85 82 94 529 44.7 2.386 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5887 3452.6 3.7 scans 15% 596 m/z 0.39% 0.0739% 2709 0.9 211 252759 2879325 2628781 2-6 12: 596 597 598 316 356 302 300 342 330 600 581 384 0.845 34.47 13.9 96 96 77 99 596 127.1 36.183 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN EXBLK5S-N1006 Contamination 6.3617 1047.7 2.4 scans 81% TIC 0.51% 0.0334% 26 2.2 196 199272 0.0877% 1252132 1252132 3280332 0-0 0.995 6.63 -15.6 98 97 89 98 295 59.6 9.282 -0.263 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1192 Contamination 7.9578 1142.3 2.3 scans 97% 147 m/z 0.071% 0.455% 178 0.9 660 1429093 17024622 16902813 3-0 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 75 100 103 149 131 134 221 0.997 7.99 -1.9 99 98 97 98 235 136.9 4.298 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1026 Cadaverine NC 8.1209 1152.0 2.8 scans 68% TIC 1.4% 0.0141% 193 2.1 104 68920 0.0356% 530873 504464 1331583 0-1 0.981 7.74 22.8 97 97 93 97 216 25.1 5.773 0.385 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1188 Contamination 8.2998 1162.6 2.2 scans 49% 281 m/z 3.7% 0.00548% 210 1.1 74 26973 205155 205155 0-0 9: 281 369 282 283 370 265 207 371 249 0.768 8.41 -6.8 95 95 90 96 369 24.6 11.134 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1186 Phosphate 8.4860 1173.6 2.1 scans 96% 241 m/z 0.070% 0.227% 228 1.1 484 1455088 8495889 8189511 1-1 20: 241 242 133 211 73 163 256 243 135 195 98 59 89 119 147 137 181 134 121 257 1.000 8.56 -4.4 100 99 99 100 299 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1180 Benzoic acid 9.6634 1242.9 2.6 scans 36% 179 m/z 4.8% 0.00476% 340 1.2 64 20903 178064 166374 1-2 6: 179 105 135 77 180 51 0.987 9.76 -5.6 95 95 88 96 194 9.1 2.025 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN VEN77_S6-N1002 Glycerol 10.0338 1264.5 5.4 scans 94% 314 m/z 0.011% 4.00% 375 0.3 1297 8589727 149758300 149278012 0-1 20: 314 283 315 193 191 211 135 225 208 134 137 298 181 121 151 212 192 105 227 179 0.976 10.09 -3.5 99 98 94 99 299 725.6 31.450 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6588 1301.1 2.9 scans 91% TIC 1.1% 0.0787% 435 1.1 237 89643 2947344 2614286 6-1 0.999 10.73 -4.5 84 76 64 99 209 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9987 1321.6 2.4 scans 68% 184 m/z 3.9% 0.00964% 467 1.0 96 26128 360658 360521 1-0 15: 184 134 285 174 86 77 100 185 172 227 59 286 135 175 186 0.988 11.06 -3.9 94 93 81 95 285 27.8 8.438 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3722 1344.1 2.8 scans 30% 57 m/z (84) 0.37% 0.0914% 502 1.0 243 275249 0.0944% 3418923 2974808 3530939 5-3 19: 57 97 115 145 127 129 69 56 111 59 109 128 72 71 58 87 98 201 113 0.950 11.45 -4.4 96 98 95 99 145 70.9 8.533 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1024 Contamination 10.96min 11.3912 1345.2 3.3 scans 92% TIC 0.039% 0.660% 504 0.7 668 2597332 0.693% 24720603 23521111 25920981 2-0 0.988 10.96 26.2 97 97 96 99 161 173.5 6.752 0.435 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN TAB_REP6-N1026 Malic acid 13.4492 1472.3 2.5 scans 90% 73 m/z 0.49% 0.0627% 700 1.0 234 208044 2346577 2274395 2-1 20: 73 147 233 245 133 189 190 148 74 175 75 335 191 234 149 55 101 246 265 59 0.997 13.53 -5.3 96 95 93 96 335 27.9 1.419 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1044 Dodecanol 14.7129 1554.6 2.7 scans 92% TIC 0.39% 0.0667% 820 0.8 233 259302 2495274 2353793 2-1 0.998 14.24 31.2 97 99 98 99 243 126.1 29.305 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1765 1654.1 2.9 scans 83% 290 m/z 0.30% 0.0742% 959 1.9 223 333920 0.0795% 2776937 2689838 2973619 1-0 17: 290 291 73 292 158 392 144 131 117 74 115 293 393 100 160 200 172 0.956 16.28 -7.0 98 96 93 99 392 32.9 2.176 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5343 1679.0 2.7 scans 92% 55 m/z 0.25% 0.181% 993 1.2 363 397941 0.198% 6801093 5554303 7405995 10-4 20: 55 69 73 83 56 70 97 57 84 111 82 127 98 113 68 71 140 96 54 67 1.000 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1010 Glycerol-P 17.4729 1746.4 3.1 scans 97% 357 m/z 0.032% 2.21% 1082 0.6 1251 3154017 82934729 81082233 1-1 20: 357 299 73 358 147 315 445 300 370 211 359 103 101 387 301 133 256 129 218 75 1.000 16.97 36.9 96 99 98 99 445 200.4 2.570 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN TAB_REP6-N1048 Citric acid 18.2304 1801.8 2.6 scans 25% 273 m/z 5.3% 0.00507% 1154 1.1 66 19245 0.00525% 189949 189949 196371 0-0 11: 273 363 375 274 347 211 465 275 257 221 348 0.777 18.24 -1.0 83 86 45 88 465 12.3 3.412 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4240 1816.6 4.3 scans 95% TIC 0.028% 3.29% 1173 0.5 1274 3585778 123206498 116380773 1-3 0.995 17.91 38.4 96 99 98 99 327 121.7 0.913 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1012 Phytol 18.5566 1826.7 3.4 scans 97% 68 m/z 0.072% 1.42% 1185 0.5 966 1408542 1.59% 53338807 52135464 59472380 1-0 20: 68 95 82 69 57 123 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 38.6 94 98 99 99 278 58.3 0.365 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1016 Hexadecene 18.6187 1831.4 2.8 scans 90% TIC 0.24% 0.214% 1191 1.1 410 422729 4.72% 8026823 7291180 176546940 0-2 0.995 18.10 39.0 85 86 93 97 280 62.5 2.321 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6408 1833.1 2.7 scans 35% 285 m/z 1.7% 0.0248% 1193 1.1 142 57230 0.346% 930271 877757 12941788 12-0 16: 285 117 132 129 286 145 300 118 287 201 241 116 61 257 130 146 0.990 18.73 -6.6 94 94 82 94 300 15.5 1.200 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1002 Phytol 18.8min 18.8460 1848.7 2.7 scans 93% 81 m/z 0.42% 0.211% 1213 1.0 407 242350 7908091 7533272 1-4 20: 81 82 95 68 123 57 69 55 67 79 83 71 96 124 97 109 278 111 53 110 0.994 18.84 0.4 98 98 99 98 278 47.6 1.372 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1018 Fructose 18.9343 1855.5 2.8 scans 52% 103 m/z 2.6% 0.0151% 1221 0.8 105 38622 565407 485705 9-1 14: 103 307 217 308 277 309 218 104 189 205 89 364 148 172 0.980 18.52 31.2 86 89 88 90 364 10.4 0.992 0.409 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0922 1867.5 2.9 scans 94% 81 m/z (307) 0.19% 0.450% 1236 0.8 591 520148 16853864 16730270 0-1 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.1 90 95 98 99 278 81.7 1.913 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN BRA4_R~2-N1004 Galactose 19.2542 1879.9 2.8 scans 33% 319 m/z 4.5% 0.00781% 1251 0.9 78 22255 0.0169% 292304 292304 632128 0-0 8: 319 205 160 320 321 206 161 189 0.957 19.36 -8.2 89 89 80 89 364 0.0 0.000 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1068 Galactopyranose 19.3300 1885.7 2.9 scans 52% 204 m/z 1.6% 0.0219% 1259 1.3 127 60579 0.0351% 820153 743168 1312881 2-4 8: 204 191 205 192 206 193 189 305 0.911 19.32 1.2 83 81 83 86 435 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9097 1931.5 2.9 scans 89% TIC 0.22% 0.166% 1314 1.1 308 447049 0.181% 6222210 4335731 6770126 0-4 1.000 19.91 -0.2 96 94 95 99 361 14.6 0.225 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7873 2002.1 3.0 scans 95% TIC 0.15% 0.706% 1397 0.9 720 659651 0.742% 26432256 25624073 27753777 1-5 0.998 20.27 41.9 83 83 94 98 322 50.3 0.488 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1038 C16:0 21.1524 2032.8 3.3 scans 98% 117 m/z 0.025% 2.82% 1432 0.5 1356 3972484 105702228 105702227 1-0 20: 117 313 73 75 132 129 145 314 55 131 57 133 118 328 69 74 201 116 315 83 1.000 20.62 44.5 94 99 99 100 328 153.8 1.288 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1042 myo-Inositol 21.6564 2075.2 3.0 scans 12% 305 m/z 15% 0.00243% 1480 0.9 43 6632 91225 91225 0-0 5: 305 318 306 319 265 0.967 21.77 -9.9 82 85 61 86 318 14.8 11.812 -0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9552 2100.3 3.2 scans 82% TIC 0.59% 0.114% 1508 0.9 287 170361 0.228% 4282347 3989131 8528115 2-2 0.990 22.33 -32.7 95 97 97 99 342 35.5 1.532 -0.375 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1915 2208.6 6.2 scans 91% 79 m/z 0.034% 7.59% 1626 0.2 1601 2960261 8.05% 284263779 250914005 301102302 0-9 20: 79 75 73 95 93 67 108 80 91 81 335 107 94 121 55 129 149 135 77 117 0.995 23.12 6.8 96 95 98 95 350 116.8 0.533 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1036 C18:0 23.4051 2228.2 2.6 scans 89% 341 m/z 0.094% 0.580% 1646 0.8 701 1079348 21702000 20449394 2-4 19: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 343 201 74 116 297 0.996 22.89 46.4 93 98 97 99 356 92.8 1.751 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7113 2256.2 2.8 scans 44% 163 m/z (337) 0.39% 0.0636% 1675 1.2 221 260925 2379199 2242909 2-11 9: 163 331 164 165 88 332 178 90 60 0.944 23.72 -0.7 93 94 92 97 331 48.9 4.895 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1406 2295.4 3.2 scans 33% 204 m/z 0.64% 0.0367% 1716 0.9 162 157955 0.0469% 1374171 1312663 1754248 1-6 17: 204 217 205 337 147 103 206 219 218 338 191 339 361 203 101 243 220 0.629 24.18 -3.7 90 92 72 92 581 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2301 2303.7 6.7 scans 17% 143 m/z (204) 1.4% 0.0104% 1724 1.1 88 70198 0.0224% 391947 387752 837850 2-0 3: 143 144 156 0.714 24.23 -0.1 81 86 71 84 362 5.8 0.431 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1018 myo-Inositol 25.2107 2396.9 4.4 scans 55% TIC 1.1% 0.0647% 1818 1.2 201 90457 0.157% 2422667 2422667 5872430 0-0 0.911 25.21 0.1 97 97 92 98 470 13.4 0.446 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6242 2437.7 3.2 scans 49% 91 m/z 0.62% 0.0367% 1857 1.2 158 164755 0.0455% 1376119 1251421 1701883 5-3 16: 91 117 194 207 92 208 115 193 65 312 118 104 51 195 102 128 0.980 25.61 1.4 98 98 96 98 312 19.2 1.478 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3018 2505.0 2.9 scans 52% 204 m/z 0.42% 0.0836% 1921 1.1 232 239867 3129306 2093547 23-0 12: 204 217 205 147 219 206 218 191 305 148 293 101 0.971 25.86 44.3 84 86 91 99 361 10.1 0.190 0.446 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5554 2531.2 2.8 scans 51% 512 m/z 0.44% 0.122% 1945 1.1 307 228714 4591817 4505573 1-0 15: 512 455 247 513 456 514 483 248 207 349 263 457 497 484 423 0.955 26.57 -1.9 98 97 89 98 512 105.4 11.763 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9310 2570.0 2.9 scans 88% 371 m/z 0.035% 1.06% 1981 0.8 927 2901910 39873635 38500999 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 71 103 116 75 145 101 117 85 1.000 26.39 55.4 90 97 97 100 459 119.6 1.673 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1018 Sucrose 27.4130 2620.5 2.9 scans 17% 361 m/z (397) 1.5% 0.0268% 2027 1.1 137 68029 0.0313% 1005532 881059 1170746 1-14 9: 361 362 437 363 438 451 439 364 452 0.874 27.47 -6.0 92 94 81 95 437 27.4 3.993 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN LQC1-N1014 Sucrose 27.4130 2620.5 2.9 scans 14% 361 m/z 1.4% 0.0194% 2027 1.1 124 68141 0.0226% 727456 637405 845331 1-14 9: 361 362 437 363 438 451 439 364 452 0.740 27.49 -8.2 93 94 74 95 437 27.4 4.895 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7282 2764.1 2.7 scans 92% 399 m/z 0.054% 0.687% 2152 0.8 757 1889926 25726221 25006872 0-1 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 117 267 75 85 101 1.000 28.19 60.2 89 98 97 100 487 97.9 1.674 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN SQUALENE-N1017 Squalene STD 29.0828 2804.0 6.2 scans 45% TIC 0.81% 0.0237% 2186 1.5 174 125037 0.0561% 889037 880927 2098365 1-0 0.975 29.09 -1.1 86 87 92 86 410 8.3 0.227 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8278 2887.8 2.9 scans 37% TIC 1.2% 0.0126% 2256 1.2 151 80593 0.0204% 472475 468290 763042 1-0 0.967 29.83 0.1 89 90 96 92 408 9.3 0.377 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1038 Hexacosanol 30.1750 2928.4 2.9 scans 3.3% 439 m/z 7.5% 0.00202% 2289 0.9 38 13595 0.00342% 75714 75714 127922 0-0 2: 439 440 0.662 30.17 0.3 89 97 46 97 439 28.9 57.938 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4222 2957.7 3.0 scans 55% 193 m/z (204) 0.68% 0.112% 2313 1.0 285 148226 4211987 4072605 1-1 13: 193 119 105 163 120 176 194 515 171 247 325 106 185 0.979 30.36 7.6 91 92 91 93 529 12.0 0.177 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4622 2962.5 3.0 scans 40% 57 m/z 0.80% 0.0474% 2317 0.7 187 127325 0.0557% 1776551 1604560 2083404 0-3 13: 57 71 56 85 393 392 394 70 99 113 127 58 365 0.968 30.46 -0.1 95 95 94 95 393 45.5 5.943 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2124 3051.6 2.9 scans 74% 57 m/z 0.13% 0.343% 2388 0.9 498 755971 0.382% 12839592 10769922 14288333 13-3 19: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 421 394 0.991 31.21 0.1 99 98 99 100 393 76.8 2.374 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1048 Hentriacontane 31.5134 3087.3 3.3 scans 50% 57 m/z 0.24% 0.197% 2416 1.0 356 411683 0.218% 7369615 6392496 8154075 4-2 18: 57 71 85 55 99 83 56 113 70 127 111 84 141 98 112 155 86 58 0.996 31.53 -2.2 94 93 97 95 436 21.6 0.366 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6880 3108.1 3.7 scans 16% 204 m/z 1.2% 0.0126% 2433 1.1 127 81163 0.127% 473353 459012 4750310 0-1 10: 204 337 597 217 205 598 129 206 338 599 0.862 31.68 1.5 83 83 78 87 597 16.5 1.667 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8164 3123.3 3.2 scans 65% 502 m/z 0.099% 0.339% 2445 0.8 483 1022872 12708953 12655991 0-1 15: 502 237 503 236 238 504 277 221 223 239 505 208 193 222 262 0.982 31.79 2.9 99 98 92 98 502 250.4 26.826 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9469 3138.8 3.3 scans 56% 329 m/z 0.39% 0.381% 2458 0.8 517 256851 14279409 13128339 1-1 15: 329 129 368 353 458 330 107 119 121 105 328 369 145 93 247 0.907 31.87 9.4 87 84 89 97 458 74.6 2.084 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1089 3158.1 3.5 scans 42% 71 m/z (487) 0.14% 0.410% 2473 1.3 506 713277 0.681% 15367570 15367570 25472133 0-0 12: 71 421 99 97 422 72 58 197 392 100 309 114 0.971 32.11 -0.1 93 95 97 98 421 117.8 5.410 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1046 Stigmasterol 32.9885 3262.5 3.6 scans 40% 83 m/z 0.17% 0.760% 2557 0.8 699 587602 0.999% 28460589 26610036 37366609 1-4 20: 83 129 255 55 394 484 69 81 133 119 159 105 355 351 107 93 95 485 91 379 0.746 32.98 0.7 89 93 78 94 665 26.8 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1074 3276.7 3.3 scans 73% TIC 0.073% 0.521% 2568 1.0 684 1395667 2.51% 19495036 19495036 93884072 0-0 0.995 33.10 1.3 82 78 97 89 515 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3568 3306.3 3.4 scans 16% 437 m/z (97) 1.3% 0.0914% 2592 0.7 217 74710 3419596 3034887 1-3 8: 437 529 438 530 439 531 450 453 0.778 33.38 -2.6 83 85 65 91 529 39.9 3.385 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8977 3370.5 3.5 scans 5.6% 441 m/z 1.3% 0.0148% 2643 1.0 96 73617 555921 521634 1-1 5: 441 442 646 308 511 0.758 33.80 12.1 87 86 59 95 646 19.2 4.012 0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\N528_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5889 3452.6 3.7 scans 15% 596 m/z 0.42% 0.0667% 2709 1.0 195 238276 0.0674% 2496731 2404477 2521030 1-1 12: 596 597 598 316 599 302 356 318 300 600 581 344 0.935 34.47 13.9 96 96 75 98 596 120.8 38.377 0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN EXBLK5S-N1006 Contamination 6.3699 1048.2 1.9 scans 60% 207 m/z 1.2% 0.0136% 27 1.0 128 80589 433689 409980 1-2 10: 207 295 208 209 296 191 297 279 193 189 0.931 6.63 -15.1 95 94 83 95 295 40.7 10.179 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.8508 1076.7 >12 scans 13% 117 m/z (131) 14% 0.00690% 73 0.2 38 7012 0.0159% 220078 220078 506989 0-0 2: 117 147 0.898 6.82 1.8 82 87 56 89 295 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1192 Contamination 7.9809 1143.7 2.2 scans 97% 73 m/z 0.067% 0.518% 180 1.0 719 1480581 16541760 16296256 4-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 160 75 100 103 149 131 134 221 0.995 7.99 -0.5 99 98 98 99 235 143.3 3.974 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1188 Contamination 8.3102 1163.2 2.3 scans 64% 281 m/z 4.5% 0.00749% 211 1.1 87 22219 239024 229777 4-1 12: 281 147 369 282 283 370 148 207 265 371 249 149 0.838 8.41 -6.2 91 90 65 95 369 24.6 8.055 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1186 Phosphate 8.5101 1175.1 2.4 scans 97% 241 m/z 0.045% 0.477% 230 1.0 661 2216520 15212392 14687963 1-1 20: 241 242 133 73 211 163 243 256 135 195 98 59 89 119 147 137 75 121 257 134 1.000 8.56 -2.9 100 99 99 100 299 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1180 Benzoic acid 9.6770 1243.7 2.5 scans 55% 179 m/z 4.7% 0.00526% 341 1.1 70 21114 0.00527% 167965 164597 168040 1-2 8: 179 105 135 77 180 194 51 136 0.990 9.76 -4.8 96 96 89 96 194 12.4 3.169 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN VEN77_S6-N1002 Glycerol 10.0526 1265.6 5.7 scans 94% 299 m/z 0.013% 4.16% 377 0.3 1343 7234857 132908249 131432193 1-0 20: 299 73 147 314 205 133 117 103 218 207 283 211 191 193 206 148 74 135 204 75 0.993 10.09 -2.4 97 95 88 99 299 727.9 29.551 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6724 1302.0 2.6 scans 66% 199 m/z (69) 1.0% 0.0491% 436 1.0 201 94400 1567093 1514341 1-1 18: 199 73 117 145 132 129 131 200 67 74 118 81 61 79 116 201 72 53 0.956 10.73 -3.6 95 96 93 99 209 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1168 Glyceric acid 10.9502 1318.7 2.4 scans 92% 73 m/z 0.68% 0.0531% 462 1.2 225 145265 0.0551% 1694200 1637099 1756924 1-1 19: 73 147 189 292 133 103 205 148 190 293 102 117 307 74 149 294 101 191 59 0.999 11.05 -6.2 99 98 96 98 292 63.5 7.937 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0101 1322.3 2.4 scans 73% 184 m/z 3.6% 0.0127% 468 1.0 111 27548 405086 405086 0-0 16: 184 134 285 174 86 77 100 172 59 286 227 185 186 130 175 135 0.997 11.06 -3.2 94 93 82 95 285 30.0 7.372 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3826 1344.7 2.9 scans 19% 57 m/z 0.37% 0.0880% 503 1.2 241 267260 0.0940% 2806196 2456294 2997293 4-2 17: 57 97 115 145 127 69 129 111 109 72 128 71 98 201 113 114 110 0.944 11.45 -3.8 90 91 84 93 145 73.1 9.212 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4163 1346.7 3.5 scans 95% 84 m/z 0.021% 1.47% 507 0.4 969 4566138 46914978 45562534 1-3 20: 84 133 162 161 119 92 118 82 85 65 51 130 134 78 117 63 91 77 120 55 0.995 10.96 27.7 97 97 97 98 161 253.1 6.818 0.460 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN TAB_REP6-N1026 Malic acid 13.4565 1472.8 2.6 scans 93% 73 m/z 0.24% 0.135% 700 1.0 338 408876 4320438 4314864 1-0 20: 73 147 233 245 133 148 189 190 75 74 175 149 335 191 55 234 101 59 217 246 1.000 13.53 -4.8 99 98 97 98 335 40.0 1.398 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1138 Pyroglutamic acid 13.9510 1504.1 2.9 scans 47% 156 m/z 5.5% 0.00330% 747 1.0 50 18098 105251 105251 0-0 4: 156 157 258 230 0.993 14.11 -10.6 88 88 79 90 273 0.0 0.000 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2656 1525.0 2.6 scans 53% 263 m/z 1.1% 0.0203% 777 1.0 129 88286 647656 627877 1-1 17: 263 264 278 265 279 342 448 175 449 91 207 133 119 247 129 128 131 0.961 14.33 -4.0 83 78 81 96 278 32.2 6.221 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5634 1544.7 3.1 scans 82% TIC 0.76% 0.0633% 806 0.6 204 130151 0.0859% 2019681 1837005 2739015 2-4 0.974 14.69 -8.5 96 95 94 95 409 13.3 0.427 -0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1044 Dodecanol 14.7181 1555.0 2.6 scans 69% 243 m/z 2.2% 0.0138% 820 1.0 107 44591 0.0140% 442424 442424 446405 0-0 10: 243 244 103 97 83 89 245 101 61 111 0.964 14.24 31.6 94 96 89 97 243 57.1 28.640 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1827 1654.6 2.9 scans 60% 290 m/z 1.5% 0.0188% 960 1.8 109 66041 599919 533992 1-4 8: 290 291 292 158 392 144 131 115 0.889 16.28 -6.5 93 92 81 97 392 15.7 2.075 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 3.0 scans 62% TIC 3.8% 0.00642% 993 0.9 94 26058 0.0399% 204694 204694 1272255 0-0 0.995 16.63 -6.4 86 86 88 86 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1010 Glycerol-P 17.4685 1746.1 2.6 scans 98% TIC 0.047% 1.50% 1082 0.7 1140 2112675 47924119 47866545 1-0 1.000 16.97 36.6 96 99 99 100 445 175.9 2.384 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1086 Fructofuranose 18.1651 1796.9 3.6 scans 59% 73 m/z 3.3% 0.0117% 1148 1.8 92 30249 0.0361% 375307 356476 1151088 2-0 11: 73 437 438 439 219 147 230 191 257 103 129 0.972 18.13 2.3 85 85 80 85 437 23.7 6.564 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4239 1816.5 4.1 scans 95% TIC 0.031% 3.45% 1173 0.5 1344 3211464 110191920 105762270 1-3 0.994 17.91 38.3 96 99 98 99 327 125.9 0.878 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1012 Phytol 18.5544 1826.5 3.0 scans 98% 68 m/z 0.074% 1.38% 1185 0.7 1017 1347386 1.51% 44014266 43523283 48148002 1-0 20: 68 95 82 57 55 69 123 81 83 67 97 71 96 109 124 111 56 79 70 85 1.000 18.04 38.4 94 98 99 99 278 57.7 0.322 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1016 Hexadecene 18.6186 1831.4 2.9 scans 91% TIC 0.35% 0.170% 1191 1.3 365 283614 4.79% 5426439 5426439 152734389 0-0 0.996 18.10 39.0 81 79 92 97 280 50.7 1.927 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6449 1833.4 2.7 scans 56% 285 m/z 2.7% 0.0195% 1194 1.0 124 35891 622473 622018 1-0 13: 285 117 132 286 145 287 118 201 61 300 241 116 257 1.000 18.73 -6.3 94 94 81 94 300 11.8 0.903 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1076 Pregnane?? 18.7659 1842.6 2.7 scans 63% 345 m/z 1.6% 0.0238% 1205 1.1 146 61344 760216 731362 1-1 17: 345 73 255 346 147 347 334 256 74 239 435 257 419 215 243 372 348 0.958 18.86 -7.1 89 88 81 88 537 6.9 0.222 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1002 Phytol 18.8min 18.8480 1848.9 2.7 scans 93% 81 m/z 0.46% 0.217% 1213 1.0 422 216365 6922898 6292345 1-11 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 110 278 0.998 18.84 0.6 98 97 99 98 278 47.2 1.253 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1072 Fructose 18.9406 1856.0 2.7 scans 85% 73 m/z 0.51% 0.0802% 1222 1.0 258 194086 2558228 2492871 1-1 20: 73 103 307 217 147 308 218 277 133 74 205 309 104 189 117 89 364 148 219 172 0.998 19.03 -7.0 93 92 93 93 364 23.8 0.852 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1018 Fructose 19.0594 1865.0 2.7 scans 63% 73 m/z 0.63% 0.0640% 1233 1.1 230 158615 0.199% 2043826 1841168 6345333 1-3 20: 73 103 307 217 147 308 218 277 309 74 364 104 89 205 262 219 148 133 117 191 0.995 18.52 40.7 88 91 92 97 364 23.4 1.036 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0931 1867.6 2.9 scans 96% TIC 0.22% 0.524% 1236 0.7 607 447738 16734704 14925297 1-4 0.998 18.58 39.2 93 96 98 99 278 78.1 1.653 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1068 Galactopyranose 19.2110 1876.6 2.8 scans 76% 204 m/z 0.71% 0.0383% 1247 1.0 185 138901 0.188% 1223699 1221484 5994586 1-0 20: 204 191 73 205 147 217 192 206 218 189 148 193 149 231 133 103 219 243 207 305 0.994 19.32 -7.9 93 92 91 93 435 10.5 0.320 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1064 Mannose 19.2615 1880.4 2.6 scans 85% 73 m/z (290) 0.27% 0.178% 1252 0.9 374 358954 0.262% 5681245 5125837 8354157 0-1 20: 73 319 205 160 147 320 217 103 321 206 74 117 229 189 133 161 148 157 207 129 0.995 19.45 -14.8 95 96 96 96 319 134.7 12.951 -0.194 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN TAB_REP6-N1054 Galactose 19.2615 1880.4 2.8 scans 87% TIC 0.27% 0.174% 1252 0.8 378 369718 0.686% 5562247 5030573 21873860 0-1 0.993 19.22 3.4 96 95 95 96 376 10.5 0.078 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN BRA4_R~2-N1004 Galactose 19.5056 1899.1 3.3 scans 55% 160 m/z 0.84% 0.0561% 1275 1.3 206 118241 0.133% 1790660 1790660 4240850 0-0 18: 160 103 71 57 85 113 99 229 233 305 127 307 102 104 155 112 141 169 0.746 19.36 11.0 82 85 64 86 364 8.8 0.181 0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9128 1931.7 2.8 scans 51% 204 m/z 0.80% 0.0299% 1314 1.2 156 123726 0.0409% 954865 880439 1304141 5-5 13: 204 205 159 217 147 206 218 160 219 305 291 243 101 0.815 19.91 0.0 92 91 71 93 361 7.6 0.237 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2737 1960.7 2.6 scans 79% 204 m/z 0.41% 0.0780% 1348 1.2 255 238337 2489372 2393430 1-3 19: 204 73 191 205 147 217 206 192 218 103 117 129 189 74 193 133 148 219 305 0.993 20.41 -11.3 94 93 93 93 217 56.2 4.861 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7850 2001.9 2.8 scans 95% TIC 0.24% 0.451% 1397 0.9 606 405325 0.470% 14400308 13633557 14986464 1-7 1.000 20.27 41.7 84 84 95 98 322 39.7 0.428 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1038 C16:0 21.1512 2032.7 3.1 scans 98% 117 m/z 0.030% 2.63% 1432 0.5 1358 3320263 84026570 83912083 1-0 20: 117 313 73 75 132 129 145 314 55 131 328 133 118 69 57 201 74 269 116 315 1.000 20.62 44.4 94 99 99 100 328 152.1 1.254 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6700 2076.3 2.8 scans 46% 305 m/z 3.3% 0.0161% 1481 1.0 116 29554 0.0177% 514478 481310 564384 1-2 17: 305 217 318 191 306 265 319 218 307 432 219 291 320 192 221 266 433 0.986 21.75 -6.6 89 89 75 89 507 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2813 2128.8 2.9 scans 9.5% 327 m/z 4.3% 0.00732% 1539 1.1 76 22791 233507 233507 0-0 4: 327 328 342 329 0.734 22.33 -4.2 87 89 46 88 342 12.9 2.911 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1008 C18:3 23.2104 2210.4 >8 scans 63% 117 m/z 0.031% 7.99% 1627 0.5 1360 3195211 9.86% 255062647 235623850 314396885 3-0 19: 117 123 76 159 185 351 146 118 132 130 201 84 137 279 188 57 322 111 71 0.682 22.64 50.0 86 97 71 93 335 177.3 1.698 0.567 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 >8 scans 63% TIC 0.043% 5.15% 1628 0.5 1370 2316397 10.2% 164421483 164421483 325238156 0-0 0.895 23.12 8.8 92 92 94 92 350 80.3 0.344 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2651 2215.4 11.1 scans 93% TIC 0.022% 5.22% 1633 0.6 1727 4475481 15.0% 166757475 163530734 478291407 0-1 0.995 23.28 -1.4 90 87 74 94 450 57.6 0.111 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1036 C18:0 23.4177 2229.3 3.0 scans 89% TIC 0.13% 0.550% 1647 1.2 648 735503 0.625% 17565092 17345088 19928809 0-3 0.974 22.89 47.5 93 99 95 99 356 78.9 1.484 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1004 Prostaglandin 23.8164 2265.8 5.2 scans 97% 73 m/z 0.025% 6.27% 1685 0.3 1689 3885333 200163763 199993593 1-0 20: 73 169 231 143 211 147 156 195 75 81 117 182 181 221 183 170 360 235 157 107 1.000 23.76 5.4 100 98 99 100 360 145.3 0.741 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN N479_R~1-N1006 17-Methyltestosterone 23.8901 2272.5 4.8 scans 61% TIC 0.88% 0.0857% 1692 1.7 241 112773 4.23% 2733079 2645226 134878177 0-1 0.933 23.88 1.2 90 90 90 89 450 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1010 Epitestosterone 23.9059 2273.9 4.5 scans 53% 143 m/z 0.88% 0.0660% 1694 0.6 207 112979 1.88% 2105280 2068472 59945856 0-1 10: 143 144 107 105 202 156 161 171 175 174 0.814 23.96 -5.0 84 91 82 90 360 22.8 0.000 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1006 Androsterone 23.9059 2273.9 4.5 scans 39% 143 m/z (73) 0.93% 0.0582% 1694 0.6 178 106648 1.65% 1857524 1825047 52612055 0-1 10: 143 144 107 105 202 156 161 171 175 174 0.897 23.89 1.5 93 96 92 97 345 4.1 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1479 2296.1 3.2 scans 24% 204 m/z 1.7% 0.0134% 1717 0.8 102 58379 0.0225% 429501 424781 717437 0-4 8: 204 205 337 217 206 338 219 339 0.905 24.01 12.6 87 88 69 88 490 0.0 0.000 0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1012 Androsterone 24.23min 24.2878 2309.2 >3 scans 70% 143 m/z 0.26% 0.0780% 1730 1.2 247 378102 0.186% 2487825 2367311 5930813 0-3 17: 143 73 144 75 156 145 81 95 155 109 272 219 115 170 362 137 127 0.985 24.23 5.4 96 96 95 96 362 14.1 0.326 0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1018 myo-Inositol 25.2137 2397.2 4.1 scans 56% TIC 0.56% 0.153% 1818 1.0 288 176160 0.231% 4896673 3771172 7365688 0-3 0.833 25.21 0.4 96 96 94 99 470 18.7 0.420 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6231 2437.6 3.1 scans 47% 91 m/z 0.39% 0.0631% 1857 1.2 214 255032 0.0720% 2013511 1879437 2295799 6-5 17: 91 117 194 207 92 115 208 193 65 312 104 51 118 178 128 78 179 0.968 25.61 1.3 98 98 97 98 312 24.6 1.325 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3754 2512.6 2.8 scans 44% 204 m/z 0.38% 0.0741% 1928 1.0 260 260549 0.122% 2364087 2364087 3890103 0-0 6: 204 205 219 206 305 220 0.970 25.86 51.9 81 86 89 98 361 7.1 0.000 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5606 2531.8 2.8 scans 23% 512 m/z 1.3% 0.0379% 1946 0.9 176 74601 1211291 1199777 1-0 17: 512 455 247 513 456 514 248 483 263 349 457 497 484 235 254 234 423 0.912 26.57 -1.3 92 92 74 94 512 58.0 10.872 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9330 2570.3 2.8 scans 85% 371 m/z 0.053% 0.844% 1981 0.8 837 1858286 26921173 24682630 1-4 20: 371 372 73 147 57 129 205 203 239 55 373 459 103 71 116 75 145 101 117 133 1.000 26.39 55.7 90 97 98 100 459 102.2 1.491 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN LQC1-N1008 Sucrose 27.4234 2621.6 2.8 scans 43% 361 m/z 0.40% 0.136% 2028 0.8 308 247437 0.220% 4367441 3717892 7014941 0-8 11: 361 362 437 363 271 451 438 439 364 452 272 0.894 27.59 -17.9 97 97 88 97 437 56.8 3.393 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6043 2640.9 3.3 scans 20% 99 m/z 1.5% 0.0299% 2045 1.2 156 62780 0.0715% 954155 934081 2279856 1-0 11: 99 71 189 173 100 287 270 368 227 114 283 0.738 27.60 0.3 84 86 82 92 368 12.6 0.653 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7302 2764.4 2.8 scans 89% 399 m/z 0.085% 0.541% 2152 0.8 679 1167365 17277656 16433814 1-1 20: 399 400 73 147 57 129 205 203 55 103 401 71 487 116 145 75 117 85 267 101 0.999 28.19 60.5 89 98 98 100 487 83.4 1.509 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1034 Nonacosane 29.5088 2851.9 2.9 scans 59% 57 m/z 0.56% 0.0679% 2226 1.1 244 177275 0.0705% 2166943 2076071 2247970 3-3 19: 57 71 85 55 99 56 365 83 97 113 70 127 111 84 366 393 58 141 155 0.989 29.50 0.4 95 94 98 98 408 8.3 0.116 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8339 2888.5 2.7 scans 73% 57 m/z 0.29% 0.127% 2257 1.0 338 337604 4051037 3737695 2-4 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 141 98 58 72 86 112 0.992 29.83 0.8 99 98 99 100 408 19.7 0.340 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4211 2957.6 2.8 scans 53% 193 m/z (204) 0.91% 0.0890% 2313 1.0 259 109067 2840551 2710287 1-3 14: 193 119 105 163 120 194 176 171 247 325 106 412 158 185 0.983 30.36 7.5 81 83 87 84 529 10.8 0.174 0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4716 2963.6 2.9 scans 83% 57 m/z 0.14% 0.323% 2318 0.9 489 676065 0.340% 10329600 9931862 10841272 4-1 20: 57 71 85 56 393 55 69 83 99 97 70 113 394 392 127 111 141 84 58 155 0.998 30.46 1.0 99 98 99 100 393 108.3 4.903 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2113 3051.5 2.9 scans 78% 57 m/z 0.17% 0.263% 2388 1.0 460 576167 8393404 8139810 1-1 20: 57 71 85 55 69 99 56 83 97 393 70 113 127 111 84 141 155 98 58 421 0.994 31.21 -0.0 100 99 100 100 393 66.0 2.057 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1048 Hentriacontane 31.5206 3088.2 2.9 scans 79% 57 m/z 0.10% 0.446% 2417 0.8 593 966286 14229459 13948074 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 86 0.999 31.53 -1.3 99 99 100 99 436 31.5 0.282 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8163 3123.3 2.9 scans 73% 502 m/z 0.15% 0.271% 2445 0.8 461 660740 8649328 7937294 1-1 16: 502 237 503 73 236 238 504 57 277 221 223 74 208 239 505 193 0.990 31.79 2.9 100 99 98 100 502 220.0 22.735 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9373 3137.7 3.0 scans 53% 329 m/z 1.2% 0.117% 2457 0.9 296 79457 3744788 3738238 0-1 9: 329 368 353 458 330 328 369 255 459 0.970 31.87 8.3 94 93 94 96 458 41.6 1.976 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1225 3159.7 3.0 scans 68% 57 m/z 0.12% 0.376% 2474 0.8 534 775017 0.396% 12014114 11786235 12626893 2-0 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 127 111 84 141 58 155 0.989 32.11 1.5 97 96 99 100 421 115.9 4.712 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1004 Campesterol 32.7969 3239.8 3.5 scans 70% 129 m/z 0.17% 0.992% 2539 0.6 794 574573 1.05% 31647237 31000600 33480398 0-1 19: 129 343 382 367 472 95 75 107 121 81 119 145 344 383 105 342 93 159 91 0.883 32.21 69.7 84 95 90 99 472 115.1 2.103 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1046 Stigmasterol 32.9990 3263.8 3.4 scans 90% 83 m/z 0.090% 1.69% 2558 0.5 1083 1104305 54146923 54146923 0-0 20: 83 129 255 55 394 69 81 484 73 133 159 75 119 145 105 93 355 107 351 95 0.996 32.98 2.0 97 95 98 97 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.1010 3275.9 3.6 scans 69% TIC 0.11% 0.471% 2567 1.7 576 869329 2.03% 15040554 14984798 64728770 2-0 0.967 33.10 0.5 93 94 97 97 515 13.2 0.052 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN WTF2-N1034 b-Sitosterol 33.4840 3321.4 3.5 scans 75% 129 m/z 0.19% 0.839% 2604 0.6 775 509108 1.02% 26771427 24526324 32523816 4-4 20: 129 357 396 486 73 381 95 75 107 119 121 358 145 57 397 81 105 356 159 93 0.998 32.88 72.1 84 95 98 99 486 107.3 1.914 0.607 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5924 3334.3 3.1 scans 43% 386 m/z 1.0% 0.191% 2614 0.9 370 99217 6094507 5640220 1-4 5: 386 296 281 387 371 0.980 33.58 1.0 93 92 95 96 505 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8891 3369.5 3.2 scans 3.9% 441 m/z (99) 2.3% 0.00976% 2642 1.1 80 42768 311384 292310 1-1 6: 441 442 308 646 647 443 0.640 33.80 11.1 89 94 62 94 646 16.2 4.093 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5825 3451.8 3.8 scans 13% 596 m/z 0.59% 0.0693% 2708 0.9 200 168014 2212012 2037832 1-2 9: 596 597 598 316 302 599 303 330 600 0.944 34.47 13.1 98 98 91 99 596 110.9 30.634 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 1.8 scans 78% 207 m/z 0.76% 0.0382% 27 1.1 193 130664 0.0385% 1001671 997089 1008556 1-0 14: 207 295 208 209 104 119 191 296 148 297 279 193 210 189 0.975 6.63 -15.0 92 91 78 92 295 47.2 5.952 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8772 1078.3 >8 scans 17% 147 m/z 15% 0.00435% 75 0.3 41 6589 0.0171% 113966 111837 447956 0-2 2: 147 117 1.000 6.82 3.4 83 85 76 88 295 0.0 0.000 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8326 1134.9 7.1 scans 50% 147 m/z (89) 4.0% 0.0113% 166 1.1 73 24440 0.467% 298438 298438 12233657 0-0 5: 147 73 148 66 149 0.990 7.79 2.3 81 82 82 89 219 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1192 Contamination 8.0009 1144.9 2.2 scans 98% 147 m/z 0.057% 0.758% 182 0.9 782 1748734 19870895 19437543 5-0 20: 147 73 133 220 235 148 59 146 72 86 74 75 160 89 103 100 149 131 134 221 0.996 7.99 0.7 99 98 97 99 235 158.3 4.097 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1188 Contamination 8.3093 1163.1 2.3 scans 74% 281 m/z 2.9% 0.0134% 211 1.2 106 33923 352827 350032 1-0 13: 281 147 369 282 283 370 148 265 371 207 249 149 191 0.885 8.41 -6.3 94 93 72 96 369 30.2 8.187 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1186 Phosphate 8.5228 1175.8 2.4 scans 97% 241 m/z 0.075% 0.342% 232 1.0 505 1325282 8959569 8619122 1-1 20: 241 242 133 73 211 163 256 243 135 195 59 98 89 147 119 137 134 121 181 75 1.000 8.56 -2.2 100 99 99 100 299 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1180 Benzoic acid 9.6866 1244.2 2.5 scans 54% 179 m/z 6.7% 0.00474% 342 1.6 58 14719 0.00698% 124172 121986 182850 0-2 7: 179 105 135 77 180 194 51 1.000 9.76 -4.3 93 94 87 94 194 9.9 2.891 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN VEN77_S6-N1002 Glycerol 10.0527 1265.6 5.4 scans 93% 299 m/z 0.014% 4.38% 377 0.3 1251 7142223 114902152 113441869 0-1 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 135 74 75 225 131 59 284 0.976 10.09 -2.4 99 98 94 99 299 719.4 33.242 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LACTIC~1-N1034 Glycerol 10.0570 1265.9 3.1 scans 7.2% 147 m/z (299) 0.21% 0.252% 377 0.4 349 459813 6610394 6332475 3-1 20: 147 205 117 103 218 206 148 149 204 177 129 203 219 101 118 116 104 217 175 89 0.648 10.11 -3.1 86 94 57 93 293 24.8 0.502 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6767 1302.2 2.6 scans 60% 199 m/z 1.0% 0.0603% 436 1.0 201 91750 1582173 1515385 3-1 19: 199 75 73 117 145 129 132 131 200 74 81 118 76 61 201 72 155 146 133 0.769 10.73 -3.4 98 97 92 99 209 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1168 Glyceric acid 10.9545 1318.9 2.5 scans 89% TIC 1.1% 0.0395% 463 1.3 170 84916 0.0678% 1037309 986979 1776107 1-0 1.000 11.05 -6.0 97 95 93 97 292 48.1 8.049 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0145 1322.5 2.5 scans 60% 184 m/z 3.0% 0.0182% 468 0.9 113 33220 478259 456312 0-1 18: 184 134 285 174 86 77 100 59 227 185 135 286 172 186 175 130 110 143 0.848 11.06 -3.0 96 95 89 97 285 33.1 8.575 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3880 1345.0 2.8 scans 15% 57 m/z (84) 0.35% 0.123% 504 1.0 251 279405 3242229 2773153 4-6 14: 57 97 115 145 127 129 111 109 128 72 98 201 113 114 0.885 11.45 -3.5 93 97 89 98 145 76.0 9.166 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4269 1347.4 3.8 scans 95% TIC 0.019% 2.31% 508 0.4 1038 5228867 60747225 57995160 2-3 0.993 10.96 28.4 97 98 97 98 161 272.4 6.895 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN TAB_REP6-N1026 Malic acid 13.4555 1472.7 2.6 scans 91% TIC 0.35% 0.124% 700 1.0 286 283630 0.152% 3269311 3048627 3981833 2-2 0.994 13.53 -4.9 97 96 95 97 335 31.9 1.242 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1146 Malic acid 13.4555 1472.7 2.6 scans 86% 73 m/z 0.37% 0.109% 700 1.1 278 267882 2859562 2624108 2-1 20: 73 147 233 245 148 133 189 190 74 75 191 175 149 234 101 55 335 217 59 265 0.998 13.62 -10.1 97 96 95 96 350 0.0 0.000 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9490 1504.0 2.7 scans 32% 156 m/z 7.8% 0.00226% 747 1.1 39 12735 59304 59304 0-0 2: 156 157 0.969 14.11 -10.7 87 89 77 89 273 0.0 0.000 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2657 1525.0 2.5 scans 55% 263 m/z 0.81% 0.0314% 777 1.0 148 122368 823098 823098 0-1 17: 263 264 278 447 265 279 448 342 175 449 207 240 247 191 131 105 119 0.957 14.33 -4.0 84 79 82 97 278 36.0 5.952 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5635 1544.7 2.5 scans 66% 73 m/z 2.3% 0.0203% 806 0.9 116 42514 531857 482000 5-1 20: 73 292 147 205 220 293 217 103 117 294 148 221 149 74 199 206 130 319 143 102 0.993 14.62 -3.9 89 88 86 89 409 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1044 Dodecanol 14.7171 1554.9 2.5 scans 67% 243 m/z 1.9% 0.0195% 820 1.0 118 52357 511971 511971 0-1 13: 243 244 103 89 97 101 61 245 59 76 111 115 81 0.936 14.24 31.5 94 96 89 97 243 61.6 27.298 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1807 1654.4 2.8 scans 54% 290 m/z 1.2% 0.0198% 959 1.9 104 78356 519004 517156 0-2 8: 290 291 292 158 392 144 115 393 0.751 16.28 -6.7 93 93 68 97 392 17.2 2.735 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5322 1678.8 2.9 scans 71% TIC 2.0% 0.0178% 993 1.1 131 49645 0.0813% 467179 467179 2129757 0-0 0.998 16.63 -6.6 91 91 91 91 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1010 Glycerol-P 17.4644 1745.8 2.7 scans 96% 357 m/z 0.058% 1.55% 1081 0.6 1012 1712841 40618863 39099481 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 129 256 218 328 1.000 16.97 36.3 96 99 99 99 445 158.9 2.466 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4177 1816.1 4.1 scans 95% 73 m/z 0.030% 3.94% 1172 0.5 1327 3252125 103440262 98091532 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 58 118 66 133 213 90 77 121 0.994 17.91 37.9 96 99 98 99 327 125.6 0.898 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1012 Phytol 18.5513 1826.3 2.9 scans 97% 68 m/z 0.086% 1.48% 1185 0.6 942 1160262 1.61% 38868507 38085222 42175992 1-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 38.2 95 98 99 99 278 53.4 0.321 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1016 Hexadecene 18.6155 1831.2 3.0 scans 89% TIC 0.45% 0.179% 1191 1.4 324 221417 5.31% 4696803 4696803 139102185 0-0 0.997 18.10 38.8 82 81 92 97 280 45.5 1.968 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6408 1833.1 2.7 scans 47% 285 m/z (70) 2.3% 0.0298% 1193 1.0 136 42924 1.20% 781253 680697 31435522 7-2 16: 285 117 132 129 145 286 118 300 76 61 116 287 130 201 119 241 0.954 18.73 -6.6 93 95 81 95 300 14.1 1.083 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1002 Phytol 18.8min 18.8460 1848.7 2.7 scans 94% 81 m/z 0.58% 0.216% 1213 1.0 372 169950 5659747 5425036 1-3 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 97 124 109 53 110 56 111 0.995 18.84 0.4 97 96 99 96 278 41.1 1.221 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1072 Fructose 18.9364 1855.6 2.6 scans 89% 73 m/z 0.36% 0.134% 1221 1.1 306 270360 3532891 3510885 1-0 20: 73 103 307 217 147 308 218 277 133 205 74 309 104 117 189 148 364 219 89 191 0.998 19.03 -7.4 94 93 94 94 364 27.4 0.804 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0901 1867.4 2.9 scans 95% TIC 0.27% 0.548% 1236 0.6 548 364626 14370435 13680434 1-5 0.999 18.58 39.0 93 96 98 99 278 71.7 1.711 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1068 Galactopyranose 19.2090 1876.4 >2 scans 50% TIC 2.7% 0.00590% 1247 1.1 97 36642 0.428% 154747 154747 11212003 0-0 0.969 19.32 -8.1 85 85 84 85 435 0.0 0.000 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1064 Mannose 19.2595 1880.3 2.6 scans 88% 73 m/z 0.27% 0.204% 1252 0.9 377 368367 0.213% 5367602 5018754 5579805 0-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 229 133 148 189 157 207 161 89 0.991 19.45 -14.9 96 95 95 95 319 135.6 12.919 -0.196 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN BRA4_R~2-N1004 Galactose 19.5046 1899.0 3.1 scans 75% 73 m/z 1.2% 0.0686% 1275 1.4 207 77360 0.141% 1799402 1578580 3693674 7-0 20: 73 88 71 147 57 160 320 103 85 102 217 133 99 69 89 113 104 161 74 157 0.980 19.36 10.9 88 87 69 89 364 0.0 0.000 0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9087 1931.4 2.8 scans 72% 204 m/z 0.79% 0.0528% 1314 1.1 185 126450 1384130 1255811 2-2 13: 204 217 159 205 206 129 218 189 160 191 219 305 291 0.995 19.91 -0.3 91 90 93 92 361 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2706 1960.5 2.6 scans 56% 204 m/z 1.2% 0.0267% 1348 1.0 139 77658 699920 666807 1-1 14: 204 191 205 147 217 192 206 218 189 193 219 148 149 207 0.957 20.41 -11.5 89 88 88 88 217 32.2 5.353 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7788 2001.4 2.9 scans 94% TIC 0.31% 0.487% 1396 1.0 538 322016 0.509% 12763907 11645448 13333901 1-13 1.000 20.27 41.2 84 84 95 98 322 35.8 0.445 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1038 C16:0 21.1450 2032.2 3.2 scans 97% 313 m/z 0.034% 2.77% 1431 0.5 1247 2874011 72595041 71776716 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 74 315 201 116 269 1.000 20.62 43.9 94 99 99 100 328 140.6 1.271 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6658 2076.0 2.7 scans 38% 305 m/z 5.9% 0.0109% 1481 0.9 85 16734 286419 283328 3-0 13: 305 217 318 191 306 265 319 307 320 192 432 433 367 0.992 21.75 -6.9 85 86 71 86 507 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1042 myo-Inositol 21.6658 2076.0 2.7 scans 61% 305 m/z (67) 3.3% 0.0178% 1481 0.9 107 29720 468543 463487 3-0 13: 305 217 318 191 306 265 319 307 320 192 432 433 367 0.978 21.77 -9.1 81 81 78 90 318 24.6 5.283 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2772 2128.4 2.8 scans 27% 327 m/z (143) 4.7% 0.0219% 1539 1.2 119 20996 573966 573966 1-0 5: 327 328 342 329 283 0.889 22.33 -4.6 87 89 80 92 342 13.6 1.307 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2031 2209.7 10.2 scans 65% TIC 0.044% 6.32% 1627 0.5 1402 2249996 11.2% 165568523 165568523 293398206 0-0 0.963 23.12 7.9 92 93 94 92 350 85.1 0.368 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2473 2213.7 >4 scans 94% TIC 0.026% 5.63% 1631 0.6 1675 3764547 16.1% 147592813 143063749 421759922 0-2 1.000 23.28 -3.1 91 87 75 95 450 64.6 0.149 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1036 C18:0 23.4114 2228.7 2.9 scans 90% 341 m/z 0.14% 0.674% 1647 0.8 640 704794 17662058 16767124 2-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 343 69 74 201 297 116 0.999 22.89 46.9 93 99 98 99 356 80.3 1.573 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1004 Prostaglandin 23.8007 2264.3 4.1 scans 96% 73 m/z 0.028% 5.39% 1684 0.4 1561 3461674 141421884 137910873 1-1 20: 73 169 231 143 211 147 156 195 75 81 117 182 181 221 183 170 317 235 157 93 0.995 23.76 3.9 100 99 98 100 360 136.4 0.764 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1427 2295.6 3.3 scans 39% 204 m/z (143) 1.3% 0.0274% 1716 0.9 124 72189 0.0312% 718946 718718 817324 1-0 15: 204 217 205 337 147 103 206 219 338 218 339 361 101 189 243 0.933 24.18 -3.5 82 83 83 85 581 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1427 2295.6 3.3 scans 41% 204 m/z (117) 1.4% 0.0282% 1716 0.9 126 71317 0.0320% 739101 738867 838281 1-0 15: 204 217 205 337 147 103 206 219 338 218 339 361 101 189 243 0.930 24.01 12.1 87 89 88 90 490 0.0 0.000 0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1012 Androsterone 24.23min 24.2385 2304.5 3.2 scans 29% 143 m/z (180) 1.1% 0.0214% 1725 1.2 112 88316 0.0421% 562963 522781 1102863 7-0 5: 143 144 156 272 170 0.909 24.23 0.7 81 83 79 86 362 7.7 0.474 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NPE1E9~1-N1057 UNKnp_Fatty acid like compound 24.6min 24.5194 2331.2 3.4 scans 67% TIC 0.60% 0.151% 1752 1.0 262 164339 0.351% 3972424 3227908 9194890 2-2 0.929 24.57 -4.9 90 91 87 91 231 42.8 2.663 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9424 2371.4 3.1 scans 51% 73 m/z 0.95% 0.0698% 1792 1.3 207 105237 0.0869% 1829414 1185866 2276456 2-0 20: 73 143 231 169 75 156 191 117 147 211 232 182 74 170 195 181 157 144 183 225 0.917 24.95 -1.0 85 85 83 85 231 42.1 4.141 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1018 myo-Inositol 25.2117 2397.0 4.6 scans 61% TIC 0.56% 0.240% 1818 0.8 295 177562 0.425% 6301785 5294964 11133414 0-2 0.899 25.21 0.2 98 97 95 99 470 19.3 0.427 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6179 2437.1 3.1 scans 56% 91 m/z 0.46% 0.0667% 1856 1.2 195 212945 0.0758% 1749413 1543022 1985677 6-3 19: 91 117 194 207 92 115 208 65 312 193 103 104 118 51 78 102 116 178 128 0.967 25.61 0.8 97 97 97 98 312 23.3 1.425 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2987 2504.7 2.9 scans 45% 204 m/z 1.1% 0.0298% 1921 1.1 145 83749 783183 732879 3-0 10: 204 217 205 147 219 206 218 305 189 203 0.948 25.86 44.0 88 93 92 98 361 6.0 0.000 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5565 2531.3 2.8 scans 42% 512 m/z 1.4% 0.0470% 1945 1.0 173 68252 1233571 1222548 0-1 17: 512 455 247 513 456 514 483 263 248 457 349 497 423 484 249 235 409 0.954 26.57 -1.8 94 93 78 94 512 60.9 12.314 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9352 2570.5 2.9 scans 94% 371 m/z 0.040% 1.45% 1981 0.6 942 2485016 38207053 37751590 0-1 20: 371 372 73 147 129 57 205 203 239 373 459 103 55 71 116 75 145 117 101 85 1.000 26.39 55.9 90 97 97 100 459 118.0 1.572 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1008 Sucrose 27.4193 2621.2 2.9 scans 59% 361 m/z 0.54% 0.111% 2027 1.0 266 183912 0.130% 2918910 2790371 3405515 0-10 19: 361 217 362 437 147 363 103 271 218 451 438 243 169 319 439 364 219 452 272 0.899 27.59 -18.3 98 97 88 97 437 48.8 3.368 -0.172 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN LQC1-N1010 Sucrose 27.4235 2621.6 3.5 scans 61% TIC 0.55% 0.121% 2028 1.3 288 179448 0.373% 3183610 3183610 9771208 0-0 0.839 27.58 -16.6 97 96 91 98 437 47.6 2.724 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7292 2764.3 2.8 scans 94% 399 m/z 0.058% 0.957% 2152 0.8 806 1708828 25070682 24491820 0-1 20: 399 400 73 147 129 57 205 203 103 55 487 401 71 116 145 75 117 101 267 85 1.000 28.19 60.4 89 98 98 100 487 101.1 1.578 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1034 Nonacosane 29.5068 2851.7 3.0 scans 64% 57 m/z 0.52% 0.0989% 2226 1.0 257 192251 0.111% 2592900 2381818 2907786 8-3 18: 57 71 85 55 56 99 365 83 97 113 70 127 393 141 84 366 364 86 0.993 29.50 0.2 97 96 98 98 408 2.9 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8319 2888.3 3.0 scans 78% 57 m/z 0.27% 0.194% 2257 1.0 352 357310 5090197 4795000 1-4 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 141 98 58 86 155 140 0.994 29.83 0.6 97 95 99 100 408 20.7 0.347 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1038 Hexacosanol 30.1760 2928.5 2.9 scans 3.0% 439 m/z (193) 14% 0.00159% 2290 1.1 32 7042 41650 41650 0-0 2: 439 440 0.412 30.17 0.4 82 94 48 94 439 22.6 50.828 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4180 2957.2 2.8 scans 62% 193 m/z (57) 0.66% 0.177% 2312 1.1 322 150587 4641030 4372628 1-3 15: 193 119 105 163 120 91 176 194 171 515 247 121 325 106 158 0.986 30.36 7.1 87 88 94 90 529 13.0 0.162 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4675 2963.1 2.8 scans 87% TIC 0.13% 0.364% 2317 0.8 507 719564 0.598% 9544286 8875561 15665369 0-1 0.999 30.46 0.5 99 97 99 100 393 113.4 5.006 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2103 3051.3 2.9 scans 81% 57 m/z 0.14% 0.402% 2388 0.8 507 692368 10533868 9847663 11-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 155 421 394 58 0.996 31.21 -0.2 99 98 99 100 393 75.4 2.206 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1048 Hentriacontane 31.5260 3088.8 2.9 scans 87% 57 m/z 0.071% 0.849% 2418 0.6 723 1404010 22264437 21903834 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 82 0.999 31.53 -0.7 100 100 100 99 436 40.3 0.311 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8164 3123.3 3.1 scans 81% 502 m/z 0.10% 0.485% 2445 0.7 545 944058 12728839 12716208 0-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 74 239 505 193 0.994 31.79 2.9 100 99 98 100 502 261.6 23.070 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9363 3137.6 3.1 scans 52% 553 m/z 1.5% 0.132% 2457 0.8 288 63253 3461736 3461736 0-0 15: 553 329 129 368 458 353 330 328 95 369 107 121 105 145 255 0.952 31.87 8.2 93 92 90 96 458 36.0 1.556 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1163 3158.9 3.0 scans 74% 57 m/z 0.13% 0.417% 2474 0.8 517 740347 10934819 10657634 1-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 127 111 84 141 58 155 0.993 32.11 0.7 98 97 99 99 421 114.1 4.869 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3141 3182.4 2.9 scans 35% 57 m/z 0.47% 0.113% 2493 1.0 277 212532 0.468% 2965738 2693853 12259854 11-2 18: 57 71 85 99 83 97 56 113 70 84 111 127 141 140 98 86 58 112 0.918 32.33 -1.5 84 89 95 89 785 0.0 0.000 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1004 Campesterol 32.7949 3239.5 3.6 scans 76% TIC 0.17% 1.21% 2538 0.6 797 566996 1.25% 31875894 30415677 32745336 1-1 0.865 32.21 69.4 84 94 91 99 472 113.8 2.039 0.585 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1046 Stigmasterol 32.9917 3262.9 3.4 scans 89% 83 m/z 0.11% 1.73% 2557 0.6 978 861946 45354229 42415971 1-1 20: 83 129 55 255 394 69 81 484 73 159 75 133 119 105 145 107 93 351 355 97 0.996 32.98 1.1 97 95 98 98 665 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1022 3276.0 3.1 scans 76% 57 m/z 0.083% 0.821% 2568 0.8 676 1190876 21510618 20266531 1-7 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 112 58 72 0.986 33.10 0.6 90 88 98 93 515 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN WTF2-N1034 b-Sitosterol 33.4820 3321.1 3.5 scans 80% 129 m/z 0.20% 0.953% 2604 0.7 739 488701 1.19% 24971858 24136944 31173559 2-4 20: 129 357 396 486 73 381 95 75 57 121 107 119 81 358 145 397 105 356 159 93 0.999 32.88 71.8 86 97 98 99 486 103.4 1.958 0.605 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5883 3333.8 3.3 scans 39% 386 m/z 1.9% 0.149% 2614 0.9 284 51039 3926295 3609151 1-7 5: 386 296 387 257 371 0.972 33.58 0.5 89 89 92 95 505 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8861 3369.1 3.3 scans 19% 441 m/z 0.92% 0.0456% 2642 1.1 158 108460 1194971 1194971 0-1 7: 441 442 308 646 647 443 329 0.882 33.80 10.7 92 92 84 95 646 24.7 2.433 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5773 3451.2 3.9 scans 23% 596 m/z 0.61% 0.108% 2708 0.9 226 163578 2845161 2826492 0-1 13: 596 597 598 316 302 599 315 318 356 300 301 357 304 0.908 34.47 12.5 96 95 84 99 596 108.9 23.107 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN EXBLK5S-N1006 Contamination 6.3712 1048.3 1.7 scans 65% 207 m/z 0.77% 0.0212% 27 1.0 164 129109 761686 668851 1-9 16: 207 295 208 209 296 191 297 279 193 210 189 177 192 168 119 247 0.950 6.63 -15.0 97 96 88 97 295 51.4 9.849 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8874 1138.1 3.0 scans 44% 147 m/z (89) 5.7% 0.00358% 171 1.8 58 17287 0.106% 128407 128407 3795673 0-0 5: 147 66 148 149 72 0.988 7.79 5.5 81 81 79 90 219 7.2 1.569 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1192 Contamination 8.0494 1147.7 2.5 scans 94% TIC 0.20% 0.184% 187 1.0 400 478862 6603939 6211089 7-2 0.996 7.99 3.5 97 96 97 97 235 81.1 4.106 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1188 Contamination 8.3167 1163.6 2.5 scans 78% TIC 1.4% 0.0213% 212 1.4 146 67548 763444 720957 1-2 0.911 8.41 -5.8 98 97 78 99 369 42.1 8.265 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1186 Phosphate 8.5681 1178.5 2.1 scans 97% 241 m/z 0.082% 0.200% 236 1.0 474 1215890 7174364 6897102 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 137 119 257 181 121 134 1.000 8.56 0.5 100 99 99 100 299 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1180 Benzoic acid 9.7266 1246.6 2.6 scans 51% 179 m/z 4.9% 0.00481% 346 1.3 66 20157 0.00589% 172374 161192 210911 3-1 8: 179 105 135 77 180 181 194 51 0.933 9.76 -1.9 94 95 86 95 194 10.5 2.503 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN VEN77_S6-N1002 Glycerol 10.0812 1267.3 5.5 scans 88% 299 m/z 0.011% 3.86% 380 0.3 1334 8341908 138509114 138509114 0-0 20: 299 300 314 301 283 315 211 193 135 225 284 208 189 134 181 195 209 137 285 269 0.948 10.09 -0.7 99 98 97 99 299 766.2 33.148 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LACTIC~1-N1034 Glycerol 10.0907 1267.9 2.7 scans 9.4% 205 m/z (299) 0.16% 0.275% 381 0.3 424 621513 9858772 9344973 3-1 14: 205 147 117 103 218 206 204 129 219 203 101 217 175 118 0.611 10.11 -1.1 83 95 56 94 293 31.7 0.559 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7062 1304.0 2.6 scans 70% 199 m/z 1.1% 0.0413% 439 0.9 194 90502 1479084 1301588 3-1 15: 199 75 117 145 132 129 200 131 118 74 61 76 201 133 155 0.985 10.73 -1.6 98 98 93 99 209 0.0 0.000 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1168 Glyceric acid 10.9787 1320.4 2.4 scans 91% TIC 0.61% 0.0539% 465 1.3 233 163818 0.0695% 1932439 1845083 2488672 1-0 0.996 11.05 -4.5 99 98 97 99 292 67.3 8.365 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0429 1324.3 2.5 scans 38% 184 m/z 6.4% 0.00454% 471 1.0 69 15574 0.00554% 162627 161402 198378 0-3 7: 184 134 285 174 77 100 227 0.973 11.06 -1.2 88 88 78 91 285 22.4 10.652 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1162 Fumaric acid 11.3091 1340.3 2.3 scans 21% 245 m/z 11% 0.000985% 496 1.0 32 8611 35282 35282 0-0 2: 245 246 0.799 11.39 -5.0 88 93 57 92 245 24.6 59.432 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4122 1346.5 2.9 scans 26% 57 m/z (84) 0.40% 0.0788% 506 0.8 241 243977 0.101% 2824807 2684093 3616632 2-0 20: 57 97 115 145 127 129 69 111 59 109 72 128 71 98 58 87 114 113 201 96 0.953 11.45 -2.0 95 98 95 98 145 72.7 9.072 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4501 1348.8 3.1 scans 96% TIC 0.020% 1.37% 510 0.5 996 4990404 1.40% 49367793 46596315 50131531 3-1 0.993 10.96 29.8 96 97 96 98 161 262.0 6.930 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1146 Malic acid 13.4735 1473.8 2.5 scans 94% 73 m/z 0.18% 0.158% 702 1.1 400 555337 5691347 5501164 1-1 20: 73 147 233 245 133 189 148 190 75 74 191 175 149 55 101 335 234 217 59 307 0.997 13.62 -9.0 99 98 97 98 350 7.7 0.037 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9691 1505.3 2.8 scans 38% 156 m/z 4.0% 0.00398% 749 1.1 59 24981 142761 142761 1-0 4: 156 258 157 230 0.939 14.11 -9.4 90 90 81 90 273 0.0 0.000 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2837 1526.2 2.6 scans 50% 263 m/z (71) 0.66% 0.0221% 779 0.9 144 151320 793149 763153 1-1 15: 263 264 278 447 265 279 175 448 74 449 207 247 191 335 105 0.987 14.33 -2.8 86 84 84 97 278 40.6 7.901 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5762 1545.6 2.6 scans 79% 73 m/z 0.69% 0.0508% 807 1.0 220 143460 1820397 1771582 5-0 20: 73 292 147 205 220 293 217 117 103 148 221 294 133 74 319 206 149 102 130 291 0.995 14.69 -7.6 97 96 94 96 409 15.7 0.508 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1044 Dodecanol 14.7351 1556.1 2.6 scans 72% 243 m/z 1.2% 0.0198% 822 1.0 138 78634 710279 694248 1-0 12: 243 244 103 89 97 245 101 61 76 115 98 74 0.960 14.24 32.7 93 96 92 97 243 74.4 29.229 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1966 1655.5 2.8 scans 48% 290 m/z 1.1% 0.0157% 961 1.8 108 86535 562585 532419 1-2 9: 290 291 392 292 158 144 131 115 293 0.708 16.28 -5.6 92 92 63 97 392 18.6 2.989 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5470 1679.9 2.9 scans 67% TIC 1.9% 0.0164% 994 1.1 133 51754 0.0793% 587790 451574 2839593 3-0 0.982 16.63 -5.5 91 91 91 90 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1010 Glycerol-P 17.4813 1747.0 2.7 scans 97% 357 m/z 0.043% 1.47% 1083 0.7 1164 2306642 52780443 52009009 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 256 387 129 218 328 1.000 16.97 37.5 96 99 99 99 445 181.7 2.437 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN TAB_REP6-N1048 Citric acid 18.2452 1802.9 2.7 scans 47% 273 m/z 3.7% 0.0110% 1156 1.1 99 26396 395165 395165 1-0 12: 273 375 363 274 347 465 211 364 221 257 183 348 0.958 18.24 0.1 93 93 85 95 465 14.7 2.231 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4356 1817.4 4.2 scans 89% 73 m/z 0.030% 2.81% 1174 0.5 1279 3306879 100805707 100102590 0-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 213 90 77 121 117 0.939 17.91 39.2 94 99 93 98 327 125.1 0.958 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1012 Phytol 18.5682 1827.6 3.1 scans 97% TIC 0.079% 1.21% 1186 0.6 971 1260709 4.59% 43608891 43524425 164359806 0-1 1.000 18.04 39.5 94 98 99 99 278 56.3 0.336 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1016 Hexadecene 18.6314 1832.4 2.9 scans 89% TIC 0.35% 0.160% 1192 1.5 362 285476 4.22% 5758961 5572190 151110759 0-1 0.996 18.10 40.0 82 81 91 97 280 50.8 1.974 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6577 1834.4 2.7 scans 55% 285 m/z (70) 2.0% 0.0240% 1195 1.0 144 49918 861021 826455 1-1 16: 285 117 132 129 286 145 131 287 118 201 116 241 300 130 146 61 0.944 18.73 -5.3 93 94 82 95 300 14.0 0.935 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1076 Pregnane?? 18.7766 1843.4 2.5 scans 66% 345 m/z 1.2% 0.0313% 1206 1.0 177 83141 1122167 1080577 1-1 16: 345 255 346 147 347 334 256 419 435 149 257 372 243 239 436 333 0.909 18.86 -6.3 91 90 80 91 537 9.3 0.277 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1002 Phytol 18.8min 18.8607 1849.9 2.7 scans 94% 81 m/z 0.44% 0.206% 1214 1.0 419 223580 7388713 6732618 1-12 20: 81 82 68 95 57 123 69 55 67 83 79 71 96 97 124 109 53 56 110 278 0.996 18.84 1.6 97 95 99 97 278 47.3 1.274 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1072 Fructose 18.9512 1856.8 2.7 scans 90% 73 m/z (69) 0.28% 0.145% 1223 1.0 354 355437 5212690 5104593 1-1 20: 73 103 307 217 147 308 277 218 133 74 104 205 189 117 309 364 89 172 219 191 0.997 19.03 -6.2 94 95 96 95 364 33.4 0.889 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1070 Fructose 19.0701 1865.8 2.7 scans 78% 73 m/z (81) 0.36% 0.108% 1234 1.1 312 273702 3881428 3698499 1-1 20: 73 103 307 217 147 308 218 277 205 74 309 104 89 262 364 133 117 148 219 189 0.996 19.19 -9.5 92 93 94 93 554 13.7 0.195 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1070 1868.6 2.9 scans 94% 81 m/z 0.23% 0.403% 1237 0.8 570 417971 14461247 14313857 1-1 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 97 109 124 278 111 53 56 1.000 18.58 40.2 93 96 98 99 278 75.0 1.729 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1064 Mannose 19.2732 1881.3 2.6 scans 94% 73 m/z 0.11% 0.404% 1253 1.0 601 904920 14475816 14453544 1-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 148 189 207 161 129 157 0.992 19.45 -13.9 99 98 98 98 319 213.7 12.633 -0.182 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN TAB_REP6-N1059 Glucose 19.5205 1900.2 3.1 scans 82% TIC 0.47% 0.116% 1277 0.7 294 211987 0.216% 4188735 3747395 7734579 2-0 0.969 19.55 -2.5 93 92 86 92 376 7.1 0.059 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9277 1932.9 2.9 scans 67% 204 m/z 0.41% 0.0656% 1315 1.2 230 242895 2350123 2212867 3-2 15: 204 217 205 159 147 206 129 218 103 191 160 219 291 243 305 0.953 19.91 1.2 97 96 92 97 361 11.0 0.227 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8020 2003.4 3.1 scans 93% 75 m/z 0.22% 0.502% 1399 0.8 628 443736 0.530% 18006585 17273326 18978365 2-1 20: 75 73 79 67 93 95 91 108 80 129 55 81 117 94 307 121 77 135 107 145 0.999 20.27 43.2 82 83 94 98 322 42.7 0.462 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1038 C16:0 21.1703 2034.3 3.6 scans 97% 313 m/z 0.029% 2.66% 1434 0.4 1310 3340117 95403938 92989288 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 57 315 69 74 269 285 1.000 20.62 46.0 94 99 99 100 328 149.6 1.304 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6827 2077.4 3.1 scans 39% 305 m/z 3.2% 0.0163% 1482 1.0 115 30357 0.0169% 585492 554258 605159 5-1 17: 305 217 318 191 306 319 265 218 432 307 320 433 291 192 367 266 219 0.991 21.75 -5.5 88 88 74 88 507 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2972 2130.1 3.1 scans 19% 327 m/z (204 298) 3.8% 0.0160% 1541 1.0 112 25792 575473 575473 0-0 4: 327 328 342 329 0.716 22.33 -2.9 85 92 68 91 342 13.7 1.505 -0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2284 2212.0 11.5 scans 65% 117 m/z (169) 0.046% 6.83% 1629 0.7 1412 2138905 11.6% 244637861 244637861 415375545 0-0 20: 117 339 133 294 132 146 199 118 130 98 84 137 176 86 85 293 322 307 71 354 0.973 23.12 10.2 90 93 94 91 350 86.4 0.374 0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1008 C18:3 23.2337 2212.5 >7 scans 82% TIC 0.032% 6.23% 1630 0.3 1590 3114578 13.0% 223172040 223172040 465507076 0-0 0.995 22.64 52.1 88 96 95 96 335 168.9 1.130 0.591 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2852 2217.2 11.6 scans 85% TIC 0.021% 5.32% 1635 0.3 1652 4547673 13.5% 190780407 181458726 483411195 0-2 0.973 23.28 0.4 90 88 72 94 450 64.9 0.155 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1036 C18:0 23.4336 2230.8 3.0 scans 89% TIC 0.11% 0.622% 1649 1.1 681 850114 0.635% 22282642 19292191 22738230 4-4 0.987 22.89 49.0 92 99 96 99 356 87.3 1.641 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1004 Prostaglandin 23.8292 2266.9 4.8 scans 96% 73 m/z 0.024% 5.44% 1686 0.3 1671 4008207 195106139 190521671 1-1 20: 73 169 231 143 211 147 195 156 75 117 81 221 182 181 317 183 170 235 157 345 0.997 23.76 6.5 100 98 99 100 360 145.2 0.756 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1010 Epitestosterone 23.9229 2275.5 2.7 scans 61% 143 m/z (353) 0.72% 0.0711% 1695 1.0 247 137833 0.0906% 2548645 2381750 3244226 1-0 7: 143 187 144 255 188 270 256 0.987 23.96 -3.4 82 82 90 89 360 9.8 0.158 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1586 2297.0 3.4 scans 36% 204 m/z (117 333) 1.0% 0.0304% 1718 0.8 142 92040 0.0373% 1091891 989626 1335647 0-2 11: 204 205 337 217 147 103 206 219 338 191 339 0.923 24.18 -2.1 85 90 85 90 581 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1586 2297.0 3.4 scans 31% 204 m/z 1.0% 0.0226% 1718 0.8 132 93887 0.0277% 810039 734172 991888 0-2 11: 204 205 337 217 147 103 206 219 338 191 339 0.956 24.01 13.5 88 89 82 89 490 0.0 0.000 0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1012 Androsterone 24.23min 24.2606 2306.6 3.1 scans 65% 143 m/z 0.18% 0.0896% 1727 1.1 292 537647 0.170% 3209004 3209004 6087400 0-0 18: 143 73 144 75 156 145 272 155 93 115 74 170 219 130 107 279 157 149 0.989 24.23 2.8 97 96 96 97 362 17.6 0.364 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1014 Androsterone 24.3min 24.3006 2310.4 >4 scans 70% 143 m/z 0.21% 0.0881% 1731 1.1 270 470053 0.223% 3157715 3060663 7985237 0-3 17: 143 73 144 75 156 145 81 272 95 219 109 115 137 155 170 362 257 0.984 24.27 2.5 97 96 94 96 362 17.2 0.406 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9561 2372.7 3.5 scans 50% TIC 1.0% 0.0433% 1793 1.0 199 93745 0.0663% 1552360 1184812 2374086 2-0 0.944 24.95 0.3 82 83 81 82 231 38.9 3.818 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1018 myo-Inositol 25.2255 2398.3 4.0 scans 59% TIC 0.48% 0.163% 1819 1.1 317 205747 0.301% 5855130 5283408 10778279 0-4 0.842 25.21 1.5 96 95 90 99 470 20.6 0.421 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6390 2439.2 3.1 scans 40% 91 m/z 0.61% 0.0348% 1858 1.2 166 161363 0.0430% 1249383 1141666 1539754 6-3 15: 91 117 194 207 92 208 115 65 193 312 104 118 51 178 179 0.981 25.61 2.9 97 97 96 97 312 19.6 1.390 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1024 Steroid 26.19min 2494 26.2198 2496.7 >4 scans 17% TIC 1.5% 0.00688% 1913 1.5 132 62527 0.0936% 246522 188502 3351651 2-0 0.919 26.19 2.6 82 82 79 89 347 8.4 0.402 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5723 2533.0 2.9 scans 23% 512 m/z 1.4% 0.0376% 1947 0.9 180 70422 1347148 1241734 1-1 16: 512 455 247 513 456 483 514 248 349 263 457 497 484 423 515 409 0.924 26.57 -0.1 93 93 78 94 512 63.5 12.470 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9511 2572.1 3.0 scans 87% 371 m/z 0.031% 1.31% 1983 0.7 1059 3186170 47265763 44595351 1-3 20: 371 372 73 147 129 57 205 203 239 373 55 459 103 71 116 145 75 117 101 85 0.999 26.39 57.5 89 97 97 100 459 132.0 1.559 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1014 Sucrose 27.4330 2622.6 3.1 scans 35% 361 m/z (397) 0.40% 0.195% 2029 1.0 304 248584 6985132 4077901 8-18 10: 361 362 437 363 271 451 438 364 439 452 0.957 27.49 -6.1 91 91 87 98 437 56.3 3.415 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1018 Sucrose 27.4330 2622.6 3.1 scans 28% 361 m/z 0.40% 0.134% 2029 1.0 270 248170 4819707 2813732 8-18 10: 361 362 437 363 271 451 438 364 439 452 0.750 27.47 -3.9 97 97 82 98 437 56.5 4.383 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN LQC1-N1008 Sucrose 27.4383 2623.2 5.9 scans 38% TIC 0.41% 0.0984% 2029 1.2 316 241413 0.552% 3523890 3523890 19766147 0-0 0.779 27.59 -16.3 96 96 87 97 437 58.3 3.412 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6788 2758.6 >2 scans 19% TIC 2.0% 0.00189% 2147 1.0 111 49578 0.188% 67999 67999 6731948 0-0 0.922 28.69 -0.8 85 87 83 86 603 0.0 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7472 2766.3 2.8 scans 92% 399 m/z 0.049% 0.879% 2154 0.8 859 2022609 31480657 30450802 1-1 20: 399 400 73 147 129 57 205 203 401 103 55 487 71 116 145 75 267 117 101 85 1.000 28.19 62.4 88 97 97 100 487 108.8 1.610 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1034 Nonacosane 29.5258 2853.9 3.2 scans 52% 57 m/z 0.63% 0.0606% 2228 1.0 228 156756 0.0657% 2172218 2010594 2352601 2-4 18: 57 71 85 55 99 56 365 83 97 70 113 127 366 393 84 141 364 58 0.984 29.50 2.4 97 98 97 98 408 8.2 0.129 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8499 2890.3 3.3 scans 64% 57 m/z 0.38% 0.116% 2258 1.1 294 260944 4176934 3700296 6-3 18: 57 71 85 55 99 83 56 97 70 113 127 84 141 98 58 155 72 112 0.990 29.83 2.6 99 98 99 100 408 17.5 0.353 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4412 2960.0 3.2 scans 63% 193 m/z (57) 0.56% 0.171% 2315 1.0 345 177032 6125287 5665286 2-1 16: 193 119 105 163 120 176 91 194 171 247 121 515 325 106 158 248 0.981 30.36 9.9 90 91 93 93 529 15.0 0.189 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4865 2965.4 3.1 scans 80% 57 m/z 0.14% 0.303% 2319 0.9 489 697380 0.314% 10866972 10371225 11243786 4-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 113 394 127 111 84 141 58 365 0.998 30.46 2.8 99 98 99 100 393 110.7 5.128 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2262 3053.2 3.2 scans 74% 57 m/z 0.18% 0.243% 2389 0.9 438 529338 0.261% 8714047 8402166 9345950 1-2 20: 57 71 85 55 99 56 69 83 97 393 113 70 127 111 141 84 155 98 421 58 0.993 31.21 1.7 100 99 100 100 393 64.1 2.143 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1048 Hentriacontane 31.5334 3089.7 3.3 scans 72% 57 m/z (204) 0.12% 0.426% 2418 0.8 549 825038 15287720 15034493 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 126 0.992 31.53 0.2 97 98 99 99 436 31.9 0.338 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6996 3109.5 7.4 scans 16% 204 m/z 1.5% 0.0114% 2434 1.1 122 64872 0.0945% 408933 408570 3383878 0-1 12: 204 205 597 337 73 217 206 147 598 103 361 191 0.759 31.68 2.9 85 88 76 87 597 14.7 1.458 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8301 3125.0 3.0 scans 69% 502 m/z 0.16% 0.226% 2447 1.0 427 612338 8125994 7692108 1-1 15: 502 237 503 73 236 238 504 277 221 505 223 208 239 222 235 0.982 31.79 4.6 100 99 97 99 502 207.6 23.677 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9564 3139.9 3.8 scans 50% TIC 1.3% 0.0715% 2459 1.2 279 74375 2561287 2433044 2-0 0.969 31.87 10.5 94 94 93 95 458 38.4 1.897 0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1342 3161.1 3.3 scans 62% 57 m/z 0.13% 0.337% 2476 0.9 510 718411 0.378% 12067764 11799521 13535513 2-1 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 127 111 84 141 58 155 0.985 32.11 2.9 97 95 98 100 421 114.4 5.033 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1004 Campesterol 32.8118 3241.5 3.6 scans 79% TIC 0.16% 1.07% 2540 0.7 857 624281 38341510 33261901 0-8 0.952 32.21 71.4 83 94 94 98 472 119.1 1.932 0.602 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1046 Stigmasterol 33.0117 3265.3 3.6 scans 88% 83 m/z 0.093% 1.54% 2559 0.6 1056 1069790 55335770 53384437 1-1 20: 83 129 55 255 69 394 81 484 73 75 133 159 119 145 105 107 95 93 97 355 0.996 32.98 3.5 97 95 98 98 665 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1138 3277.4 3.2 scans 68% TIC 0.12% 0.339% 2569 1.5 543 812793 0.467% 12164793 11436875 16722447 1-1 0.967 33.10 2.0 93 92 97 97 515 14.1 0.068 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN WTF2-N1034 b-Sitosterol 33.4989 3323.1 3.6 scans 78% 129 m/z 0.20% 0.797% 2605 0.7 746 488787 0.942% 28557429 27252106 33731359 4-3 19: 129 357 396 486 381 95 75 107 119 121 57 358 145 81 105 397 356 55 159 0.998 32.88 73.8 84 95 98 99 486 104.0 1.942 0.622 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6115 3336.5 3.3 scans 48% 386 m/z 0.92% 0.187% 2616 1.0 372 107745 6709751 6266537 2-1 6: 386 296 387 281 257 371 0.985 33.58 3.2 94 93 95 97 505 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6005 3454.0 3.7 scans 26% 596 m/z 0.51% 0.0670% 2710 1.1 209 193483 2400337 2353512 1-1 11: 596 597 598 316 302 599 356 315 318 303 304 0.981 34.47 15.3 97 97 90 98 596 116.7 31.300 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 3.2 scans 69% TIC 0.60% 0.0356% 27 1.3 189 164235 0.110% 1183856 1155513 3653742 1-0 0.931 6.63 -15.0 98 98 93 98 295 58.7 9.695 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1192 Contamination 8.1177 1151.8 2.3 scans 97% 147 m/z 0.10% 0.383% 193 1.1 582 971851 12730411 11129640 14-1 20: 147 73 133 220 235 148 146 59 72 86 74 160 89 103 100 75 149 131 134 236 1.000 7.99 7.6 97 96 97 97 235 119.0 4.186 0.129 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1188 Contamination 8.3134 1163.4 2.3 scans 71% 281 m/z 2.4% 0.0133% 212 1.0 114 41406 445066 430854 1-1 16: 281 147 369 282 283 370 265 371 148 249 207 191 149 193 284 251 0.905 8.41 -6.0 97 96 80 98 369 34.2 9.010 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1186 Phosphate 8.6249 1181.9 2.3 scans 96% 241 m/z 0.066% 0.281% 241 1.2 528 1497226 9337360 8844844 1-1 20: 241 242 133 211 73 163 243 256 195 135 98 59 89 147 119 137 75 121 257 212 1.000 8.56 3.9 100 99 99 100 299 0.0 0.000 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1180 Benzoic acid 9.7602 1248.5 2.8 scans 45% 179 m/z 6.5% 0.00389% 349 1.1 58 15153 0.00521% 129423 129378 173055 1-0 6: 179 105 135 77 180 194 0.953 9.76 0.0 94 95 84 96 194 10.7 3.452 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN VEN77_S6-N1002 Glycerol 10.1127 1269.1 5.1 scans 95% 299 m/z 0.011% 4.19% 383 0.4 1406 8555106 139408565 133597821 1-1 20: 299 73 300 314 301 147 133 205 283 207 315 211 193 191 103 117 135 74 225 75 0.998 10.09 1.1 98 96 92 99 299 778.4 30.795 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7282 1305.3 2.8 scans 82% 199 m/z 1.1% 0.0496% 441 0.9 193 86040 1648161 1541480 5-1 17: 199 75 117 73 145 132 129 200 131 118 74 61 76 201 133 155 146 0.984 10.73 -0.3 97 95 92 98 209 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1168 Glyceric acid 10.9934 1321.3 2.8 scans 79% TIC 1.8% 0.0189% 466 1.2 134 55450 0.0765% 630316 630316 2541012 0-0 0.966 11.05 -3.6 93 91 90 96 292 38.7 8.302 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0618 1325.4 2.7 scans 88% TIC 1.0% 0.0439% 473 0.8 191 96246 0.0703% 1458338 1458338 2335073 0-0 0.994 11.06 -0.1 99 97 95 99 285 56.8 8.832 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4227 1347.1 3.4 scans 41% 57 m/z 0.51% 0.0775% 507 0.7 205 193167 0.0892% 2577003 1936853 2962853 6-0 20: 57 97 115 145 127 129 111 69 59 109 128 72 71 87 58 98 201 113 114 110 0.996 11.45 -1.4 92 92 88 92 145 59.2 8.381 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4711 1350.0 3.1 scans 95% 84 m/z 0.021% 1.32% 512 0.5 963 4597814 44033791 43343392 1-1 20: 84 133 161 162 119 92 118 82 85 65 130 51 78 134 117 63 55 163 120 91 0.990 10.96 31.0 95 97 96 98 161 255.4 7.048 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6920 1363.3 2.4 scans 56% 147 m/z 6.5% 0.00477% 533 1.4 62 15194 158489 132294 0-5 10: 147 73 247 101 148 116 59 103 102 262 1.000 11.79 -5.6 82 82 75 84 262 8.9 2.056 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN TAB_REP6-N1026 Malic acid 13.4755 1474.0 2.5 scans 90% 73 m/z 0.38% 0.0851% 702 1.1 281 257299 2826848 2737787 1-1 20: 73 147 233 245 133 189 190 148 74 75 335 191 175 149 55 101 234 177 246 217 1.000 13.53 -3.6 97 95 94 96 335 33.4 1.419 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9732 1505.6 3.0 scans 35% 156 m/z 2.3% 0.00907% 750 1.1 82 42868 301376 295078 0-1 6: 156 157 258 230 158 74 0.915 14.11 -9.1 91 90 85 94 273 0.0 0.000 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5761 1545.6 2.5 scans 78% 73 m/z (71) 0.93% 0.0427% 807 1.0 191 106837 1421207 1336059 5-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 74 133 149 319 206 245 102 291 0.991 14.62 -3.0 93 94 92 95 409 12.4 0.418 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5761 1545.6 2.5 scans 78% 73 m/z 0.93% 0.0415% 807 1.0 192 107199 1381706 1298924 5-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 74 133 149 319 206 245 102 291 0.998 14.69 -7.6 94 93 92 95 409 12.4 0.417 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1044 Dodecanol 14.7339 1556.0 2.7 scans 78% 243 m/z 1.0% 0.0257% 822 1.0 151 95652 854556 823921 1-1 15: 243 75 244 103 89 97 83 245 101 61 76 111 59 115 74 0.981 14.24 32.6 94 96 94 97 243 82.3 29.714 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1923 1655.2 2.8 scans 53% 290 m/z 1.1% 0.0182% 960 2.0 108 84095 605698 576208 1-2 8: 290 291 292 158 392 144 115 172 0.722 16.28 -5.9 91 90 60 97 392 17.7 2.675 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5469 1679.9 2.9 scans 80% 55 m/z 0.91% 0.0483% 994 1.4 196 109315 0.0619% 1604915 1552977 2056060 0-5 18: 55 83 69 97 56 70 84 111 82 127 98 68 113 54 140 125 67 96 0.978 16.63 -5.5 95 94 93 94 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1010 Glycerol-P 17.4802 1746.9 2.6 scans 98% 357 m/z 0.036% 1.89% 1083 0.6 1264 2758261 63070513 62674160 1-0 20: 357 299 73 147 358 315 300 445 370 211 103 101 359 301 256 133 129 387 218 328 1.000 16.97 37.4 96 99 99 99 445 200.4 2.518 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN TAB_REP6-N1048 Citric acid 18.2409 1802.6 2.6 scans 28% 273 m/z 4.0% 0.00688% 1155 1.2 78 24525 228832 217917 2-1 13: 273 363 347 274 375 465 275 364 376 257 156 183 348 0.650 18.24 -0.2 86 89 48 90 465 14.7 3.556 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4314 1817.1 4.4 scans 95% TIC 0.028% 3.51% 1173 0.5 1339 3462606 116701192 110265884 1-3 0.994 17.91 38.9 95 99 98 99 327 129.2 0.932 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1012 Phytol 18.5639 1827.2 3.0 scans 97% 68 m/z 0.076% 1.31% 1186 0.6 994 1310897 1.45% 43653067 43012748 48162965 1-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 56 79 70 53 1.000 18.04 39.1 94 98 99 99 278 58.6 0.348 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1016 Hexadecene 18.6281 1832.1 2.7 scans 87% 70 m/z 0.32% 0.158% 1192 1.0 370 303377 1.13% 5258442 4913029 37533897 0-1 20: 70 69 57 55 71 83 56 111 125 97 126 84 280 85 140 67 112 68 98 82 0.996 18.10 39.7 81 80 92 97 280 55.2 2.226 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6523 1834.0 2.6 scans 38% 285 m/z 1.9% 0.0253% 1194 1.1 146 52160 0.376% 843049 815055 12489155 10-0 14: 285 117 132 129 286 145 118 300 287 130 61 201 257 241 0.998 18.73 -5.7 94 94 81 94 300 15.0 1.052 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1076 Pregnane?? 18.7712 1843.0 2.7 scans 77% 345 m/z 1.1% 0.0428% 1206 1.1 190 84655 0.0459% 1422393 1344466 1524607 1-2 19: 345 73 147 255 346 347 334 256 435 74 148 133 257 372 419 239 335 348 243 0.997 18.86 -6.7 88 87 80 87 537 9.5 0.250 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9448 1856.3 2.9 scans 77% TIC 1.0% 0.0301% 1222 1.2 175 98717 0.203% 1002157 1002157 6742815 0-0 0.994 18.40 41.3 93 98 96 98 364 16.4 0.887 0.541 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1018 Fructose 19.0627 1865.3 2.9 scans 56% 73 m/z 1.6% 0.0253% 1233 1.9 135 60140 843570 801258 1-1 18: 73 103 307 217 147 308 218 277 309 205 262 89 104 74 189 148 191 59 0.959 18.52 41.0 87 93 89 93 364 14.4 1.147 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1027 1868.3 2.8 scans 95% 81 m/z 0.21% 0.440% 1237 0.8 597 455998 14635786 14283350 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 96 97 109 124 278 111 53 56 1.000 18.58 39.9 93 96 98 99 278 81.3 1.853 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1064 Mannose 19.2668 1880.8 2.7 scans 90% 73 m/z 0.20% 0.237% 1253 0.9 439 483912 0.244% 7891932 7684621 8104664 0-1 20: 73 319 205 147 160 320 217 103 206 321 117 74 229 133 148 189 207 161 157 129 0.995 19.45 -14.4 98 97 97 97 319 158.6 13.072 -0.188 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1068 Galactopyranose 19.3436 1886.7 2.8 scans 56% 204 m/z 1.7% 0.0227% 1260 1.1 136 57539 0.0697% 756883 724024 2315144 1-2 10: 204 191 192 206 148 193 219 243 189 305 0.961 19.32 2.2 83 81 83 85 435 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN BRA4_R~2-N1004 Galactose 19.5141 1899.7 2.9 scans 72% 73 m/z 0.95% 0.0534% 1276 1.2 215 104449 0.0944% 1773980 1639596 3135575 1-0 20: 73 319 205 147 160 320 103 217 71 206 321 57 85 133 89 74 229 161 148 99 0.971 19.36 11.6 93 92 81 93 364 0.0 0.000 0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9234 1932.6 2.9 scans 87% TIC 0.24% 0.154% 1315 1.2 319 408116 0.175% 5128661 4261824 5812772 1-2 0.988 19.91 0.9 96 94 94 99 361 14.4 0.203 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2801 1961.3 2.8 scans 46% 204 m/z 1.5% 0.0177% 1349 1.1 124 64860 589535 570562 0-1 10: 204 191 205 206 192 193 189 218 219 291 0.884 20.41 -10.7 85 85 86 85 217 28.6 5.310 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7988 2003.1 3.0 scans 94% 75 m/z 0.19% 0.617% 1398 0.8 688 524830 0.653% 20518154 20004416 21689942 0-1 20: 75 73 79 67 93 95 91 80 108 129 55 81 94 307 121 117 77 107 135 145 1.000 20.27 42.9 82 82 94 97 322 47.2 0.471 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1038 C16:0 21.1629 2033.7 3.1 scans 98% 117 m/z 0.026% 2.80% 1433 0.4 1401 3743215 93278386 93271966 1-0 20: 117 313 73 75 132 129 145 314 55 131 133 328 118 57 69 74 201 315 116 269 1.000 20.62 45.4 94 99 99 100 328 160.2 1.309 0.546 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6774 2076.9 2.9 scans 49% 305 m/z 2.1% 0.0273% 1482 0.9 145 46609 0.0286% 906983 826880 949973 4-2 18: 305 217 318 147 191 306 319 265 218 307 432 320 219 367 433 393 192 291 0.999 21.75 -6.0 92 92 78 92 507 10.9 0.560 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2908 2129.6 3.0 scans 11% 327 m/z (204) 3.5% 0.0119% 1540 1.2 96 28467 397440 397440 1-0 5: 327 328 342 329 283 0.632 22.33 -3.4 83 92 48 89 342 13.2 1.901 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1008 C18:3 23.2199 2211.2 >6 scans 72% 339 m/z 0.030% 5.25% 1628 0.4 1523 3233962 12.0% 174494197 174494197 398590056 0-0 14: 339 74 130 340 118 199 176 341 264 218 180 140 240 239 0.996 22.64 50.8 86 93 90 93 335 152.2 0.998 0.577 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2231 2211.5 10.9 scans 65% 117 m/z 0.034% 9.22% 1629 0.6 1445 2899826 10.3% 306261675 279965148 342123131 4-0 16: 117 339 136 123 98 84 57 176 151 354 264 241 218 70 309 355 0.916 23.12 9.7 90 92 91 90 350 85.9 0.353 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2746 2216.2 9.9 scans 74% 169 m/z 0.024% 4.79% 1634 0.4 1581 4022915 9.38% 159329109 153868190 311564560 0-2 18: 169 73 231 143 211 156 170 147 81 117 183 157 181 195 232 107 269 121 0.969 23.28 -0.6 90 88 72 92 450 66.8 0.179 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1036 C18:0 23.4283 2230.3 3.0 scans 87% TIC 0.11% 0.637% 1648 1.3 675 847115 0.667% 21188053 19069810 22154964 3-2 0.974 22.89 48.5 92 98 94 99 356 87.6 1.686 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1004 Prostaglandin 23.8228 2266.3 4.1 scans 94% 73 m/z 0.023% 5.30% 1686 0.3 1720 4226127 176252989 164425525 1-1 20: 73 169 231 143 211 147 156 195 75 117 81 182 221 181 183 170 105 93 107 235 0.998 23.76 5.9 100 98 99 99 360 150.4 0.766 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1532 2296.5 3.2 scans 42% 204 m/z (333) 0.78% 0.0388% 1717 0.9 161 127660 0.0485% 1291518 1207185 1610968 0-1 16: 204 205 217 337 147 103 206 219 338 218 191 339 361 189 203 291 0.974 24.01 13.0 89 91 86 92 490 0.0 0.000 0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9518 2372.3 3.1 scans 59% 73 m/z 0.85% 0.0685% 1793 1.0 230 116799 0.269% 2276951 2033556 8935060 1-0 19: 73 143 169 231 191 211 75 147 117 181 182 157 74 183 170 81 232 195 212 0.946 24.95 -0.1 86 86 84 85 231 42.2 3.362 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1018 myo-Inositol 25.2201 2397.8 4.1 scans 60% TIC 0.56% 0.155% 1818 1.2 298 175694 0.326% 5162569 4599948 10828363 0-4 0.855 25.21 1.0 97 96 93 99 470 20.0 0.451 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6358 2438.9 3.2 scans 48% 91 m/z 0.59% 0.0429% 1858 1.3 172 168423 0.0515% 1426063 1270469 1710616 6-3 16: 91 117 194 207 92 208 115 193 312 65 104 51 118 178 179 63 0.984 25.61 2.6 97 97 96 97 312 21.5 1.573 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3113 2506.0 3.1 scans 49% 204 m/z 0.47% 0.0784% 1922 1.1 228 208583 2606097 1843822 22-0 9: 204 217 205 219 206 218 305 101 220 0.966 25.86 45.3 85 88 90 99 361 11.8 0.265 0.455 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5659 2532.3 2.9 scans 33% 512 m/z (218) 1.2% 0.0533% 1946 1.0 201 82477 1773030 1773030 0-0 17: 512 455 247 513 456 483 514 248 349 263 457 423 484 497 409 234 235 0.929 26.57 -0.8 93 95 86 96 512 64.1 10.201 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9468 2571.7 3.0 scans 89% 371 m/z 0.035% 1.26% 1983 0.6 981 2848252 42140164 41143290 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 103 71 55 116 145 313 101 75 85 1.000 26.39 57.1 90 97 97 100 459 125.6 1.647 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1010 Sucrose 27.4256 2621.8 2.8 scans 59% 361 m/z (397) 0.19% 0.241% 2028 1.0 438 509408 8006851 7369749 1-2 10: 361 362 437 363 271 451 438 439 364 452 0.988 27.58 -16.4 97 98 97 99 437 79.1 3.268 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN LQC1-N1014 Sucrose 27.4256 2621.8 2.8 scans 56% 361 m/z 0.19% 0.215% 2028 1.0 426 508423 7146218 6577596 1-2 10: 361 362 437 363 271 451 438 439 364 452 0.961 27.49 -6.9 99 98 93 99 437 79.1 3.445 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7397 2765.4 2.7 scans 93% 399 m/z 0.049% 0.836% 2153 0.7 849 2009125 27778749 26962301 1-1 20: 399 400 73 147 129 57 205 203 103 55 401 487 71 116 145 75 117 267 85 101 1.000 28.19 61.5 89 98 97 100 487 107.8 1.615 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1034 Nonacosane 29.5173 2852.9 2.9 scans 56% 57 m/z 0.60% 0.0672% 2227 1.1 238 165794 0.0712% 2234911 2082550 2364968 3-4 18: 57 71 85 55 99 56 365 83 113 70 97 127 393 366 141 364 84 58 0.989 29.50 1.4 95 95 97 98 408 8.1 0.117 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8424 2889.5 2.9 scans 72% 57 m/z 0.33% 0.125% 2258 1.0 320 297170 4170640 3877600 1-4 20: 57 71 85 55 99 69 83 56 97 113 70 84 127 111 141 98 112 140 58 86 0.991 29.83 1.8 99 97 99 100 408 20.1 0.393 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1038 Hexacosanol 30.1875 2929.9 3.0 scans 2.6% 439 m/z 12% 0.00138% 2290 1.1 32 8133 0.00273% 46120 46120 90679 0-0 2: 439 440 0.576 30.17 1.8 82 94 43 93 439 24.0 57.155 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4317 2958.9 3.2 scans 57% 193 m/z (204) 0.72% 0.130% 2314 1.1 294 137761 4343945 4028926 2-3 17: 193 119 105 163 120 91 194 176 515 171 325 121 247 106 185 248 516 0.987 30.36 8.8 84 85 89 87 529 13.5 0.211 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4780 2964.4 3.0 scans 78% 57 m/z (292) 0.18% 0.265% 2318 1.0 433 533738 0.281% 8833066 8340734 9333650 3-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 365 0.997 30.46 1.8 97 98 99 100 393 100.2 5.364 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2208 3052.6 3.1 scans 77% 57 m/z 0.17% 0.290% 2389 0.9 468 587393 9651124 9268144 1-2 20: 57 71 85 55 99 69 56 393 83 97 113 70 127 111 84 141 421 394 392 155 0.993 31.21 1.1 99 98 99 99 393 72.6 2.404 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1048 Hentriacontane 31.5302 3089.3 3.2 scans 80% 57 m/z 0.092% 0.540% 2418 0.9 631 1078275 17940906 17516588 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 82 0.999 31.53 -0.2 99 98 100 99 436 36.2 0.329 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6933 3108.7 7.2 scans 21% 204 m/z 1.3% 0.0154% 2434 1.2 133 72599 0.102% 512627 457277 3388015 0-2 14: 204 205 597 337 73 217 206 598 129 103 147 361 191 338 0.885 31.68 2.1 87 88 82 88 597 17.3 1.687 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8269 3124.6 3.1 scans 81% 502 m/z 0.099% 0.407% 2446 0.9 545 1007636 13535991 13535757 0-1 15: 502 237 503 73 236 504 238 277 221 223 505 239 208 74 193 0.995 31.79 4.2 100 99 99 100 502 267.1 24.051 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9511 3139.3 3.2 scans 50% 329 m/z 1.2% 0.122% 2458 1.1 290 78553 4072935 4071334 0-1 10: 329 368 458 353 330 328 369 255 443 459 0.967 31.87 9.9 94 93 94 96 458 42.8 2.189 0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1257 3160.1 4.5 scans 62% TIC 0.15% 0.318% 2475 0.9 492 628965 0.588% 10576071 10576071 19530913 0-0 0.993 32.11 1.9 98 96 99 99 421 108.8 4.881 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1004 Campesterol 32.8054 3240.8 3.7 scans 82% TIC 0.18% 1.09% 2539 0.7 830 542393 36341318 32657129 1-7 0.976 32.21 70.7 83 93 95 98 472 114.9 1.915 0.595 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1046 Stigmasterol 33.0022 3264.2 3.4 scans 88% 83 m/z 0.12% 1.26% 2558 0.6 946 806859 42107936 40735548 1-1 20: 83 129 255 55 394 484 69 81 73 75 133 159 119 105 107 145 95 93 97 355 0.996 32.98 2.4 96 95 98 97 665 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1085 3276.8 3.0 scans 74% 57 m/z 0.11% 0.426% 2568 0.9 576 867194 14177292 13697282 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 126 0.987 33.10 1.4 87 84 97 93 515 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN WTF2-N1034 b-Sitosterol 33.4883 3321.9 3.4 scans 71% 357 m/z 0.30% 0.569% 2604 0.7 609 332451 0.701% 18926497 17387534 23284302 8-4 14: 357 129 396 486 381 119 121 358 107 356 145 397 105 159 0.996 32.88 72.6 85 98 98 99 486 87.7 2.070 0.611 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6019 3335.4 3.3 scans 43% 386 m/z 1.2% 0.160% 2615 1.0 326 79035 0.199% 5333197 4640410 6609952 6-14 6: 386 296 387 281 257 371 0.979 33.58 2.1 90 88 93 96 505 3.6 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9008 3370.9 3.5 scans 3.0% 441 m/z 4.5% 0.00455% 2643 0.9 54 21852 151232 137541 1-1 5: 441 442 646 308 443 0.752 33.80 12.5 86 88 58 88 646 11.8 4.785 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5942 3453.2 3.8 scans 28% 596 m/z 0.51% 0.0874% 2709 0.9 226 194386 2903369 2801695 1-1 16: 596 597 598 331 316 599 315 302 318 356 303 342 300 357 330 301 0.971 34.47 14.5 98 97 90 99 596 117.3 26.848 0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN EXBLK5S-N1006 Contamination 6.3604 1047.6 2.3 scans 78% TIC 0.52% 0.0272% 26 2.0 197 191570 0.0821% 1106200 1106200 3330006 0-0 0.992 6.63 -15.7 98 97 88 97 295 61.8 9.797 -0.265 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1192 Contamination 7.9619 1142.6 2.4 scans 97% 147 m/z 0.059% 0.545% 178 0.9 756 1694804 22136715 21208601 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 75 103 100 149 131 134 236 0.997 7.99 -1.6 99 98 97 98 235 156.0 4.258 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1188 Contamination 8.2986 1162.5 2.2 scans 54% 281 m/z 2.9% 0.00668% 210 1.2 88 33653 271117 241440 1-11 10: 281 147 369 282 283 370 265 207 371 249 0.793 8.41 -6.9 98 97 93 98 369 28.5 10.444 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1186 Phosphate 8.4901 1173.9 2.4 scans 96% 241 m/z 0.085% 0.193% 228 1.1 454 1172488 7852228 7572442 1-1 20: 241 242 133 211 73 163 243 256 135 195 98 59 89 147 119 137 257 134 212 181 1.000 8.56 -4.1 100 99 99 100 299 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1180 Benzoic acid 9.6654 1243.0 2.5 scans 23% 179 m/z (217) 5.4% 0.00416% 340 1.5 63 18346 169040 157049 5-1 6: 179 105 135 77 180 194 0.978 9.76 -5.5 90 92 84 96 194 10.0 2.535 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN VEN77_S6-N1002 Glycerol 10.0484 1265.4 6.7 scans 94% 299 m/z 0.011% 4.67% 377 0.4 1416 8446295 189634385 189062999 1-0 20: 299 73 314 205 147 133 207 283 117 218 103 211 191 193 298 206 135 74 148 75 0.977 10.09 -2.6 98 97 92 98 299 753.6 28.464 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6629 1301.4 2.7 scans 55% 199 m/z (69) 1.0% 0.0418% 435 1.0 198 98406 1699190 1591302 2-2 17: 199 75 117 145 132 129 200 131 67 81 118 61 76 53 72 68 155 0.961 10.73 -4.2 90 90 86 97 209 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1168 Glyceric acid 10.9428 1318.2 2.7 scans 63% 73 m/z 3.8% 0.00837% 461 1.2 95 26194 0.0172% 339788 337885 697638 1-0 18: 73 147 189 292 205 103 133 102 56 293 190 148 307 117 59 294 74 217 0.954 11.05 -6.7 86 84 76 92 292 25.4 7.149 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0080 1322.2 2.5 scans 78% 184 m/z 1.9% 0.0174% 468 1.0 134 50419 706886 706465 1-0 19: 184 134 285 174 77 86 100 227 185 286 59 135 172 186 178 175 287 110 143 0.970 11.06 -3.3 97 97 92 98 285 38.8 8.339 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3763 1344.3 2.8 scans 15% 57 m/z (84) 0.34% 0.0768% 503 1.1 250 286537 0.0916% 3117174 2798610 3715329 3-0 20: 57 97 115 145 127 129 69 111 109 59 128 72 71 98 87 201 114 113 110 96 0.918 11.45 -4.2 95 98 89 98 145 77.7 9.650 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4215 1347.1 4.2 scans 97% TIC 0.016% 1.96% 507 0.4 1105 6205855 79582094 77991639 1-2 0.994 10.96 28.1 96 97 96 98 161 293.7 7.072 0.466 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6414 1360.3 3.2 scans 50% TIC 5.7% 0.00222% 528 1.2 65 17510 0.0157% 90104 90104 636798 0-0 0.965 11.79 -8.6 86 87 80 87 262 7.5 1.332 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN TAB_REP6-N1026 Malic acid 13.4501 1472.4 2.5 scans 83% 73 m/z 0.72% 0.0397% 700 1.0 206 137608 1613770 1557034 2-1 18: 73 147 233 245 189 190 133 148 191 175 335 74 101 234 55 149 246 235 0.982 13.53 -5.2 94 93 89 94 335 23.2 1.264 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1138 Pyroglutamic acid 13.9468 1503.8 2.8 scans 52% 156 m/z 2.4% 0.00758% 747 0.9 85 41354 307785 297369 1-1 8: 156 232 157 258 230 158 100 148 0.993 14.11 -10.9 81 75 77 95 273 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5571 1544.3 2.5 scans 70% 73 m/z 1.2% 0.0242% 805 1.0 159 78438 0.0253% 983928 879662 1026177 1-1 20: 73 292 147 220 205 293 217 148 117 103 221 294 199 74 149 133 206 102 319 291 0.980 14.69 -8.9 92 91 90 93 409 10.1 0.404 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1044 Dodecanol 14.7138 1554.7 2.8 scans 91% TIC 0.42% 0.0558% 820 0.8 231 235433 2265905 2147890 2-1 0.999 14.24 31.3 97 99 98 99 243 125.8 29.668 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1764 1654.1 2.9 scans 82% 290 m/z 0.30% 0.0673% 959 1.7 230 323818 2733427 2609701 1-2 14: 290 291 292 158 392 144 131 115 393 293 100 172 130 200 0.941 16.28 -7.0 98 97 94 99 392 33.9 2.162 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5341 1679.0 2.8 scans 93% TIC 0.26% 0.146% 993 1.2 371 379261 0.191% 5924747 5447459 7747029 5-0 1.000 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1010 Glycerol-P 17.4738 1746.5 3.1 scans 96% 357 m/z 0.029% 2.22% 1082 0.5 1370 3407818 90069106 88206499 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 129 133 256 218 328 1.000 16.97 37.0 96 99 98 99 445 219.6 2.572 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4176 1816.1 4.2 scans 95% TIC 0.027% 2.88% 1172 0.5 1333 3594088 4.33% 117165029 107715328 175626360 1-4 0.984 17.91 37.9 96 99 98 99 327 127.7 0.919 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1012 Phytol 18.5544 1826.5 3.2 scans 97% 68 m/z 0.067% 1.25% 1185 0.6 1026 1471390 1.50% 50805450 50615773 60840540 1-0 20: 68 95 82 69 57 55 123 81 67 83 97 71 96 109 124 111 79 56 70 53 1.000 18.04 38.4 94 98 99 99 278 60.6 0.349 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1016 Hexadecene 18.6185 1831.4 2.8 scans 91% TIC 0.23% 0.202% 1191 1.3 431 426572 4.17% 8217058 7838375 169136702 0-4 0.994 18.10 39.0 84 83 92 97 280 63.1 2.146 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6417 1833.2 2.8 scans 35% 285 m/z 1.7% 0.0233% 1193 1.2 150 57462 947173 908764 1-1 15: 285 117 132 129 145 286 118 287 201 116 300 241 130 257 61 0.998 18.73 -6.5 94 93 81 94 300 14.8 0.981 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1076 Pregnane?? 18.7585 1842.1 2.7 scans 63% 345 m/z 1.5% 0.0253% 1204 1.0 155 65142 1028658 1025115 0-1 15: 345 346 255 347 334 435 256 239 108 257 419 274 215 348 335 0.860 18.86 -7.6 87 87 71 87 537 8.1 0.276 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1002 Phytol 18.8min 18.8458 1848.7 2.7 scans 92% 81 m/z 0.40% 0.204% 1213 1.1 429 245294 0.214% 8302450 7734905 8679917 1-7 20: 81 82 95 68 57 123 55 69 83 67 79 71 96 97 124 109 278 53 56 111 0.993 18.84 0.4 97 96 99 97 278 50.2 1.368 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9331 1855.4 2.9 scans 61% 73 m/z 1.5% 0.0211% 1221 0.8 140 65455 0.0374% 856687 777554 1516957 0-3 20: 73 103 307 217 147 308 277 218 309 104 189 133 205 89 364 74 117 278 172 173 0.982 18.40 40.4 91 96 93 97 364 14.3 1.033 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1018 Fructose 18.9331 1855.4 2.9 scans 61% 73 m/z (69) 1.6% 0.0240% 1221 0.8 141 62047 0.0425% 973429 883512 1723815 0-3 20: 73 103 307 217 147 308 277 218 309 104 189 133 205 89 364 74 117 278 172 173 0.986 18.52 31.1 89 93 92 95 364 14.2 1.021 0.408 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0920 1867.5 2.8 scans 95% 81 m/z 0.18% 0.424% 1236 0.8 634 535604 17222950 17121438 0-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 39.1 92 95 98 99 278 86.9 1.877 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1064 Mannose 19.2551 1879.9 2.9 scans 85% 73 m/z 0.36% 0.111% 1252 0.9 315 272653 0.135% 4516176 4411697 5475649 0-1 20: 73 319 205 160 147 320 217 103 321 206 74 117 229 133 189 148 207 161 157 89 0.985 19.45 -15.3 97 96 95 96 319 114.2 13.124 -0.200 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1068 Galactopyranose 19.3330 1885.9 3.0 scans 53% 204 m/z 1.6% 0.0195% 1259 1.2 132 59859 0.0449% 791872 758663 1821160 1-5 9: 204 191 192 206 193 243 305 219 203 0.941 19.32 1.4 84 82 85 86 435 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN BRA4_R~2-N1004 Galactose 19.5024 1898.8 2.9 scans 56% 319 m/z 1.8% 0.0262% 1275 0.9 155 52969 0.0275% 1063111 1027013 1115410 1-2 12: 319 205 160 320 103 321 89 229 161 148 233 218 0.949 19.36 10.7 91 91 75 92 364 0.0 0.000 0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9149 1931.9 3.3 scans 84% TIC 0.25% 0.119% 1314 1.5 304 390641 0.165% 4834476 4487323 6692459 0-1 0.983 19.91 0.2 96 94 94 99 361 13.8 0.207 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2705 1960.5 2.7 scans 42% 204 m/z 1.7% 0.0116% 1348 1.2 108 56937 471024 463905 1-2 7: 204 191 205 192 206 218 193 0.994 20.41 -11.5 88 88 86 88 217 26.2 5.848 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7934 2002.6 3.0 scans 93% 75 m/z 0.16% 0.594% 1398 0.7 725 623071 0.641% 24127850 23363789 25999191 0-1 20: 75 73 79 67 93 95 91 129 108 80 55 117 81 307 94 121 77 135 107 145 0.999 20.27 42.4 83 83 94 98 322 50.2 0.479 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1038 C16:0 21.1596 2033.4 3.9 scans 97% 313 m/z 0.025% 2.76% 1433 0.3 1359 3854720 112064124 109043086 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 315 201 69 74 285 269 1.000 20.62 45.1 94 99 99 100 328 157.6 1.347 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6678 2076.1 3.4 scans 33% 305 m/z 3.3% 0.0164% 1481 1.0 110 29929 0.0373% 667037 602011 1512901 9-0 16: 305 217 318 191 306 265 319 432 307 218 433 367 192 266 291 219 0.992 21.75 -6.8 90 90 74 90 507 6.1 0.300 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2865 2129.2 3.3 scans 15% 327 m/z (73 204) 2.7% 0.0177% 1540 1.1 117 35888 719804 686037 1-1 5: 327 328 342 329 283 0.928 22.33 -3.8 83 88 64 90 342 15.8 1.846 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2472 2213.7 9.8 scans 41% 79 m/z 0.057% 4.85% 1631 0.2 1130 1744051 5.28% 196739556 183354417 214158702 4-0 17: 79 67 108 75 80 95 129 93 94 91 55 78 77 107 122 66 135 0.833 23.12 11.9 81 83 75 81 350 78.6 0.484 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2956 2218.1 5.4 scans 67% 231 m/z 0.044% 1.41% 1636 2.1 1378 2243655 7.09% 57502228 57502228 287572954 0-0 20: 231 269 360 270 265 317 345 435 280 332 277 333 292 450 285 291 249 320 257 319 0.999 23.28 1.3 91 88 80 94 450 65.1 0.223 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1036 C18:0 23.4313 2230.6 3.6 scans 83% TIC 0.12% 0.568% 1648 1.2 638 813052 0.630% 23057618 21518615 25553027 3-0 0.968 22.89 48.8 92 98 93 99 356 83.5 1.714 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1004 Prostaglandin 23.8332 2267.3 6.1 scans 96% 73 m/z 0.020% 6.99% 1687 0.3 1793 4782950 283853017 283324551 2-0 20: 73 169 231 143 211 75 147 156 81 195 117 182 105 181 221 183 170 317 93 79 0.998 23.76 6.9 100 98 99 99 360 151.7 0.716 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1426 2295.6 3.2 scans 48% 204 m/z (117) 0.63% 0.0427% 1716 0.8 183 158117 0.0524% 1735308 1617080 2125363 0-2 15: 204 205 217 147 337 103 206 218 338 219 191 339 361 319 293 0.962 24.18 -3.5 91 93 89 92 581 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NPB0E7~1-N1041 UNKnp_Ntb Fatty acid 24.66min 24.6560 2344.2 3.1 scans 40% TIC 1.4% 0.0152% 1765 1.2 165 68358 0.171% 619387 619387 6935822 0-0 0.922 24.66 -0.4 82 83 79 82 358 13.3 0.649 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9422 2371.4 3.0 scans 45% 73 m/z 0.91% 0.0289% 1792 1.5 216 109658 0.221% 1172282 1172282 8963840 0-0 20: 73 143 169 231 191 211 75 156 147 117 183 182 74 195 232 170 181 212 258 81 0.918 24.95 -1.0 86 86 83 86 231 38.9 3.250 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1018 myo-Inositol 25.2095 2396.8 2.9 scans 44% 318 m/z 0.68% 0.0882% 1817 1.0 269 145119 0.105% 3577805 3136620 4258838 4-4 18: 318 315 299 147 387 319 316 389 320 300 388 317 301 433 432 246 390 343 0.831 25.21 0.0 95 95 93 98 470 19.6 0.530 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6304 2438.4 3.1 scans 42% 91 m/z 0.55% 0.0354% 1857 1.1 173 181808 0.0433% 1438946 1302895 1756264 7-3 17: 91 117 194 207 92 208 115 65 193 312 104 51 118 178 116 102 63 0.971 25.61 2.1 95 95 95 97 312 20.8 1.447 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3006 2504.9 2.8 scans 56% 204 m/z 0.45% 0.0521% 1921 1.2 227 220427 0.198% 2116909 1884631 8030951 4-1 10: 204 217 205 147 219 206 218 305 220 189 0.972 25.86 44.2 85 88 91 98 361 12.2 0.290 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5574 2531.4 3.7 scans 67% TIC 0.34% 0.118% 1946 1.3 342 287194 0.382% 4792306 4792306 15494058 0-0 0.975 26.57 -1.7 98 97 91 98 512 107.1 9.812 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9298 2569.9 2.8 scans 90% 371 m/z 0.044% 0.761% 1981 0.8 867 2267299 30877524 30112717 1-1 20: 371 372 73 147 57 129 205 203 239 55 459 103 71 373 116 145 75 101 117 85 1.000 26.39 55.3 90 98 98 100 459 108.3 1.564 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1008 Sucrose 27.4139 2620.6 2.8 scans 60% 361 m/z (397) 0.24% 0.148% 2027 0.9 372 401603 6007671 5644648 1-1 12: 361 362 437 363 271 451 438 169 243 439 364 452 0.981 27.59 -18.9 97 98 94 98 437 68.0 3.331 -0.177 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN LQC1-N1010 Sucrose 27.4139 2620.6 2.8 scans 58% 361 m/z 0.24% 0.134% 2027 0.9 365 400719 5457410 5127637 1-1 12: 361 362 437 363 271 451 438 169 243 439 364 452 0.973 27.58 -17.6 99 98 92 98 437 67.8 3.448 -0.165 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7259 2763.9 2.7 scans 90% 399 m/z 0.074% 0.477% 2152 0.8 675 1338241 19387085 18990298 1-0 19: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 117 267 101 85 0.999 28.19 60.0 89 98 97 100 487 86.8 1.653 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1034 Nonacosane 29.5077 2851.8 2.9 scans 56% 57 m/z 0.45% 0.0728% 2226 1.0 267 218441 0.0777% 2954380 2716320 3151540 4-3 17: 57 71 85 55 99 56 365 83 113 70 127 393 84 141 366 364 155 0.986 29.50 0.3 97 97 97 98 408 8.4 0.098 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8329 2888.4 3.0 scans 70% 57 m/z 0.29% 0.118% 2257 1.2 334 338723 4816474 4586416 1-4 19: 57 71 85 55 99 69 83 56 97 113 70 127 84 141 98 155 58 86 126 0.991 29.83 0.7 98 97 99 100 408 21.9 0.432 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4221 2957.7 2.9 scans 55% 193 m/z (204) 0.64% 0.107% 2313 1.0 308 153879 4345936 4166438 1-2 11: 193 119 105 163 120 194 176 171 515 247 325 0.984 30.36 7.6 82 83 88 86 529 14.2 0.212 0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4694 2963.4 3.2 scans 76% 57 m/z 0.15% 0.253% 2317 0.9 458 628077 0.270% 10273170 9636570 10951297 3-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 113 394 127 111 84 141 58 155 0.997 30.46 0.8 99 98 99 100 393 108.0 5.559 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2144 3051.8 3.2 scans 76% 57 m/z 0.14% 0.293% 2388 0.8 501 697915 11911888 11338741 2-1 20: 57 71 85 55 99 69 56 393 83 97 113 70 127 552 111 141 421 84 392 394 0.986 31.21 0.3 98 97 99 99 393 78.3 2.442 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1048 Hentriacontane 31.5237 3088.6 3.2 scans 76% 57 m/z 0.090% 0.465% 2418 0.7 625 1107020 18895633 18508856 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 126 0.997 31.53 -0.9 99 98 100 98 436 36.4 0.340 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6816 3107.3 7.4 scans 18% 204 m/z 1.2% 0.0146% 2433 1.3 140 80361 0.143% 593861 587890 5800132 0-3 13: 204 217 205 597 337 73 598 129 191 338 206 361 599 0.874 31.68 0.7 87 88 81 89 597 17.2 1.507 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8194 3123.7 3.0 scans 77% 502 m/z 0.090% 0.360% 2446 0.8 559 1102279 14629607 14235419 1-1 16: 502 237 503 73 236 238 504 277 221 208 223 239 505 74 193 235 0.995 31.79 3.3 100 99 99 100 502 272.2 23.697 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9425 3138.3 3.3 scans 49% 329 m/z 1.0% 0.135% 2457 1.0 323 99515 5484917 5269791 1-1 11: 329 368 458 353 330 328 369 145 443 459 255 0.949 31.87 8.9 95 95 94 96 458 48.1 2.216 0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1193 3159.3 3.1 scans 60% 57 m/z 0.13% 0.293% 2474 0.9 509 740622 0.319% 11892681 11519085 12938755 3-0 19: 57 71 85 56 421 55 99 83 97 70 422 420 113 127 111 141 84 58 393 0.992 32.11 1.1 98 96 99 100 421 117.4 5.322 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1004 Campesterol 32.8011 3240.3 3.5 scans 76% 343 m/z 0.13% 1.19% 2539 0.6 921 734854 48608438 42744996 5-1 19: 343 129 382 472 367 55 95 107 75 121 119 145 383 344 81 105 342 93 159 0.922 32.21 70.2 82 92 93 98 472 134.1 2.121 0.591 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1046 Stigmasterol 33.0000 3263.9 3.5 scans 88% 83 m/z 0.097% 1.39% 2558 0.5 1046 1026499 56657133 55227931 1-0 20: 83 129 55 255 394 69 484 81 73 75 133 159 119 145 105 107 95 93 355 351 0.996 32.98 2.1 96 94 98 97 665 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN WTF2-N1034 b-Sitosterol 33.4840 3321.4 3.7 scans 71% 129 m/z 0.24% 0.550% 2604 0.7 657 405046 0.638% 22345644 20282191 25877510 1-5 19: 129 357 396 486 381 95 75 121 107 358 119 57 397 145 105 356 81 159 55 0.995 32.88 72.1 85 97 98 99 486 95.9 2.128 0.607 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5934 3334.4 3.3 scans 45% 386 m/z 1.0% 0.148% 2614 1.0 347 91653 6041499 5780814 1-2 6: 386 296 387 281 257 371 0.979 33.58 1.1 92 90 93 96 505 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8891 3369.5 3.5 scans 6.9% 441 m/z 1.8% 0.0119% 2642 1.0 94 54291 483177 481580 0-2 6: 441 442 646 308 443 647 0.870 33.80 11.1 92 93 76 94 646 17.5 3.490 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5825 3451.8 3.8 scans 31% 596 m/z 0.38% 0.0935% 2708 1.0 256 260278 3795626 3670897 2-1 13: 596 597 598 331 316 599 302 356 315 318 303 342 330 0.961 34.47 13.1 97 96 90 99 596 132.3 26.695 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN EXBLK5S-N1006 Contamination 6.3719 1048.3 1.9 scans 81% 207 m/z 0.46% 0.0361% 27 1.2 209 215836 1294044 1219146 1-5 15: 207 73 295 208 209 296 191 297 279 189 193 177 210 192 247 0.998 6.63 -15.0 97 96 89 97 295 65.5 9.860 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1192 Contamination 7.9607 1142.5 2.3 scans 97% 147 m/z 0.072% 0.469% 178 1.0 668 1377357 16815304 16358947 2-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 103 160 75 100 149 131 134 236 0.999 7.99 -1.7 97 96 97 97 235 137.8 4.259 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1188 Contamination 8.3058 1162.9 2.1 scans 50% 281 m/z 5.0% 0.00518% 211 1.1 76 19858 185787 169436 1-1 9: 281 369 282 283 207 370 265 371 249 0.962 8.41 -6.5 93 93 72 95 369 23.6 9.765 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1186 Phosphate 8.4900 1173.9 2.4 scans 95% 241 m/z 0.14% 0.131% 228 1.1 342 692360 4693434 4621028 1-0 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 121 137 257 119 164 134 0.999 8.56 -4.1 100 100 99 100 299 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1180 Benzoic acid 9.6684 1243.2 2.6 scans 33% 179 m/z 5.3% 0.00450% 340 1.1 61 18608 0.00458% 161147 161147 163978 0-0 6: 179 105 135 180 51 194 0.928 9.76 -5.3 95 96 88 96 194 8.8 2.122 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN VEN77_S6-N1002 Glycerol 10.0388 1264.8 5.9 scans 91% 299 m/z 0.011% 4.27% 376 0.3 1319 8439994 152913806 150657179 1-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 74 135 75 225 284 115 119 0.975 10.09 -3.2 99 98 94 99 299 741.1 31.759 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LACTIC~1-N1034 Glycerol 10.0441 1265.1 3.1 scans 8.6% 147 m/z (299) 0.14% 0.266% 376 0.4 405 698122 9530599 9422716 2-0 20: 147 205 117 103 218 206 148 59 131 204 149 129 177 203 219 101 118 217 89 116 0.593 10.11 -3.9 86 96 58 94 293 28.7 0.504 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6638 1301.4 2.7 scans 92% TIC 0.96% 0.0849% 435 1.2 263 103518 3040031 2766781 2-1 1.000 10.73 -4.2 84 76 64 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1168 Glyceric acid 10.9448 1318.3 2.3 scans 58% 292 m/z 5.7% 0.00621% 462 1.0 78 17480 0.00631% 222414 222414 225917 0-0 8: 292 189 205 103 133 102 293 190 0.965 11.05 -6.6 82 80 71 87 292 21.8 7.891 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0068 1322.1 2.6 scans 80% 184 m/z 2.1% 0.0205% 468 1.0 133 46683 734484 734483 1-0 16: 184 134 285 174 86 100 77 185 59 172 286 227 175 186 130 110 0.991 11.06 -3.4 97 96 89 98 285 38.5 8.352 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3783 1344.4 2.8 scans 20% 57 m/z (84) 0.35% 0.0898% 503 1.1 254 284460 0.102% 3215877 2850289 3651906 3-0 19: 57 97 115 145 127 69 129 59 111 109 128 72 71 87 98 201 114 113 96 0.950 11.45 -4.1 95 98 95 98 145 77.0 9.209 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4182 1346.9 3.4 scans 97% TIC 0.017% 1.74% 507 0.4 1037 5699632 62346703 58915891 2-3 0.996 10.96 27.9 96 97 96 98 161 274.9 7.038 0.462 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN TAB_REP6-N1026 Malic acid 13.4532 1472.6 2.5 scans 77% 73 m/z 1.3% 0.0263% 700 1.1 158 76656 943598 874083 2-1 16: 73 147 233 245 190 189 175 133 148 335 55 191 149 74 101 234 0.993 13.53 -5.0 88 87 81 90 335 18.0 1.299 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5612 1544.6 2.7 scans 40% 73 m/z 3.0% 0.0128% 805 0.9 96 32523 458389 384013 6-2 19: 73 292 205 147 220 293 217 294 103 221 148 74 143 133 319 206 130 149 102 0.942 14.62 -4.0 88 88 81 90 409 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1044 Dodecanol 14.7169 1554.9 2.7 scans 90% TIC 0.41% 0.0651% 820 0.8 231 238985 0.0852% 2331926 2317347 3050415 1-1 0.985 14.24 31.5 97 98 97 99 243 124.7 29.253 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1794 1654.3 2.9 scans 84% 290 m/z 0.32% 0.0732% 959 2.0 221 312130 0.0795% 2622890 2570151 2846338 1-0 18: 290 291 73 292 392 158 144 131 117 115 74 293 393 59 100 160 172 200 0.948 16.28 -6.8 99 97 95 99 392 32.4 2.151 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5382 1679.3 2.9 scans 91% 55 m/z (223) 0.31% 0.171% 993 1.2 332 313213 0.187% 6142254 5196096 6695161 9-3 19: 55 83 69 73 56 70 97 57 84 111 127 82 98 113 68 112 140 96 67 0.999 16.63 -6.1 97 98 98 98 210 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1010 Glycerol-P 17.4694 1746.2 2.5 scans 98% 357 m/z 0.035% 1.71% 1082 0.7 1210 2791108 61307448 60383463 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 387 129 256 218 328 1.000 16.97 36.7 96 99 99 99 445 195.4 2.607 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4175 1816.1 4.1 scans 96% TIC 0.028% 3.04% 1172 0.6 1281 3462067 109198579 103602917 1-3 0.994 17.91 37.9 96 99 98 99 327 122.0 0.909 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1012 Phytol 18.5532 1826.4 2.7 scans 97% 68 m/z 0.083% 1.04% 1185 0.6 911 1194611 1.24% 37585237 37221550 44395718 1-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 70 110 1.000 18.04 38.3 95 98 99 99 278 54.3 0.355 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1016 Hexadecene 18.6174 1831.3 3.0 scans 89% TIC 0.35% 0.169% 1191 1.4 351 283941 3.98% 6075900 5628635 142495935 0-4 0.997 18.10 38.9 84 83 92 97 280 52.4 2.233 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6437 1833.3 2.9 scans 37% 285 m/z 1.9% 0.0253% 1193 1.1 139 51836 909359 880479 1-1 15: 285 117 132 129 286 145 118 300 241 287 201 257 130 61 146 0.989 18.73 -6.4 94 94 82 94 300 14.2 1.055 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1002 Phytol 18.8min 18.8478 1848.9 2.7 scans 91% 81 m/z 0.53% 0.162% 1213 1.0 368 187912 0.164% 5820517 5273006 5871692 1-9 20: 81 82 68 95 123 57 55 69 83 67 79 71 96 124 109 97 53 56 111 278 0.999 18.84 0.6 96 94 99 97 278 42.2 1.311 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1018 Fructose 18.9352 1855.5 2.7 scans 35% 307 m/z 4.7% 0.00696% 1221 0.8 76 21056 249478 249478 0-0 7: 307 308 277 189 104 309 205 0.955 18.52 31.2 85 89 84 89 364 6.3 0.694 0.410 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0930 1867.6 2.8 scans 95% 81 m/z 0.25% 0.349% 1236 0.9 532 386896 12510668 12496093 0-1 20: 81 82 95 68 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 39.2 92 95 98 99 278 73.6 1.912 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN BRA4_R~2-N1004 Galactose 19.2571 1880.1 2.8 scans 69% 319 m/z 1.0% 0.0382% 1252 0.9 177 93257 0.0496% 1368879 1329943 1775829 0-1 15: 319 205 160 147 320 217 321 103 206 229 89 189 161 207 157 0.961 19.36 -8.0 94 93 90 95 364 11.7 0.439 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1068 Galactopyranose 19.3350 1886.0 2.9 scans 56% 204 m/z 1.8% 0.0181% 1259 1.2 120 55433 0.0332% 649203 641173 1188660 1-1 6: 204 191 192 206 193 305 0.985 19.32 1.5 87 86 86 88 435 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9158 1932.0 3.0 scans 86% TIC 0.26% 0.135% 1314 1.3 293 374146 0.149% 4852065 3875523 5334647 6-2 0.987 19.91 0.3 96 94 94 99 361 14.9 0.257 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2725 1960.7 2.7 scans 36% 204 m/z (231) 2.5% 0.0113% 1348 1.0 93 39660 405163 375877 1-2 8: 204 191 205 217 192 206 218 193 0.949 20.41 -11.3 83 85 83 85 217 22.2 5.681 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7933 2002.6 2.8 scans 93% 75 m/z 0.19% 0.526% 1398 0.8 651 508162 0.569% 18867554 18081044 20371906 1-1 20: 75 73 79 67 93 95 91 129 108 80 55 117 81 307 94 121 77 107 135 145 1.000 20.27 42.4 82 82 94 97 322 45.5 0.490 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1038 C16:0 21.1574 2033.2 3.7 scans 97% 313 m/z 0.028% 2.69% 1432 0.4 1258 3468766 96446328 93557333 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 315 201 69 74 269 285 1.000 20.62 44.9 94 99 99 100 328 146.6 1.358 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1042 myo-Inositol 21.6698 2076.3 3.1 scans 17% 305 m/z 9.5% 0.00516% 1481 0.8 62 10453 184985 184985 1-0 6: 305 318 306 265 319 307 0.980 21.77 -8.8 83 82 65 90 318 19.7 10.052 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2864 2129.2 3.2 scans 12% 327 m/z (73) 3.2% 0.0134% 1540 1.1 96 30766 481706 460016 1-1 5: 327 328 342 329 283 0.645 22.33 -3.8 82 90 48 89 342 15.1 2.485 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2155 2210.8 >7 scans 73% 73 m/z (169) 0.030% 7.29% 1628 0.5 1549 3327734 15.4% 261264145 261264145 551366179 0-0 18: 73 123 341 199 103 125 295 342 180 140 267 216 327 272 296 297 355 309 0.967 23.12 9.0 86 89 93 89 350 82.6 0.284 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2744 2216.2 10.5 scans 76% 169 m/z 0.022% 5.05% 1634 0.3 1591 4354400 10.3% 181009932 175261245 368770886 0-2 19: 169 73 231 143 211 156 170 147 117 183 181 157 81 195 269 232 141 107 197 0.987 23.28 -0.6 90 87 73 93 450 66.7 0.176 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1036 C18:0 23.4280 2230.3 3.3 scans 85% TIC 0.11% 0.675% 1648 1.1 653 870718 0.694% 24188122 20652453 24847281 4-2 0.965 22.89 48.5 92 99 94 99 356 85.0 1.695 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1004 Prostaglandin 23.8079 2265.0 6.8 scans 100% 184 m/z 0.024% 7.09% 1684 0.8 1625 4018331 7.23% 254097465 249658291 258855680 3-0 9: 184 200 267 166 307 84 323 288 324 0.997 23.76 4.6 99 98 99 99 360 139.7 0.740 0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1446 2295.8 3.3 scans 51% 204 m/z (117 333) 0.74% 0.0502% 1716 0.8 177 134812 0.0662% 1797908 1662758 2370159 0-1 17: 204 205 217 147 337 103 206 218 219 338 191 361 339 243 362 319 291 0.950 24.18 -3.3 88 92 87 92 581 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1446 2295.8 3.3 scans 36% 204 m/z 0.70% 0.0316% 1716 0.8 149 141301 0.0417% 1133747 1048522 1492985 0-1 17: 204 205 217 147 337 103 206 218 219 338 191 361 339 243 362 319 291 0.880 24.01 12.3 89 89 70 90 490 0.0 0.000 0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9421 2371.4 3.2 scans 41% TIC 1.3% 0.0178% 1792 1.2 177 76114 0.0453% 639589 639589 1621876 0-0 0.924 24.95 -1.0 80 81 79 80 231 33.5 3.559 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1018 myo-Inositol 25.2126 2397.1 3.0 scans 44% 318 m/z 0.95% 0.0682% 1818 0.9 222 105226 0.0865% 2443382 2233639 3096959 3-4 17: 318 315 299 387 319 316 389 320 300 388 317 343 432 433 246 390 434 0.799 25.21 0.3 96 96 93 97 470 15.6 0.490 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6345 2438.8 5.1 scans 40% TIC 0.61% 0.0250% 1858 1.3 166 162169 0.100% 898119 898119 3580300 0-0 0.928 25.61 2.5 91 90 94 97 312 19.3 1.347 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3058 2505.5 3.1 scans 41% 204 m/z 0.52% 0.0615% 1922 1.0 203 191055 2202643 1677932 20-0 8: 204 217 205 219 206 218 305 220 0.945 25.86 44.8 85 89 89 97 361 11.2 0.306 0.450 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5604 2531.8 2.7 scans 55% 512 m/z (218) 0.40% 0.138% 1946 0.9 340 244050 4972039 4954821 0-1 15: 512 455 247 513 456 514 483 248 263 349 457 497 423 484 249 0.978 26.57 -1.3 96 97 93 98 512 112.6 10.976 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9361 2570.6 2.9 scans 88% 371 m/z 0.038% 1.05% 1982 0.7 908 2615678 37747098 37099319 1-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 71 103 116 75 145 101 85 117 1.000 26.39 56.0 90 97 97 100 459 115.9 1.636 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1014 Sucrose 27.4159 2620.8 2.9 scans 25% 361 m/z (397) 0.97% 0.0428% 2027 1.0 176 102733 0.0464% 1534622 1395623 1661259 0-16 9: 361 362 437 363 438 439 452 364 453 0.927 27.49 -7.9 93 95 85 96 437 34.5 3.834 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN LQC1-N1018 Sucrose 27.4159 2620.8 2.9 scans 21% 361 m/z 0.97% 0.0326% 2027 1.0 160 102701 0.0353% 1169653 1063711 1263846 0-16 9: 361 362 437 363 438 439 452 364 453 0.824 27.47 -5.7 96 97 80 96 437 34.5 4.645 -0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7300 2764.3 2.7 scans 92% 399 m/z 0.056% 0.676% 2152 0.8 759 1783680 24212700 23801759 0-1 20: 399 400 73 147 129 57 205 203 103 401 55 487 71 116 145 75 101 267 117 85 1.000 28.19 60.4 89 98 97 100 487 97.5 1.653 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1034 Nonacosane 29.5097 2852.1 3.0 scans 50% 57 m/z 0.57% 0.0746% 2226 1.0 235 173987 2670986 2237583 6-10 16: 57 71 85 365 99 56 113 70 127 366 141 393 364 58 84 72 0.986 29.50 0.6 96 96 97 97 408 8.4 0.129 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8349 2888.6 2.8 scans 68% 57 m/z 0.32% 0.114% 2257 1.0 316 308309 4112803 3757591 1-7 20: 57 71 85 55 99 69 83 56 70 113 97 127 84 141 111 98 58 155 112 72 0.989 29.83 0.9 99 98 99 100 408 19.6 0.387 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1038 Hexacosanol 30.1810 2929.1 2.7 scans 8.3% 439 m/z (193) 4.2% 0.00478% 2290 1.1 62 23469 0.00667% 171369 171369 238806 0-0 3: 439 440 441 0.680 30.17 1.0 94 98 68 98 439 39.1 39.641 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4262 2958.2 3.0 scans 62% 193 m/z (204) 0.43% 0.188% 2313 1.0 367 230974 6759444 6304501 2-1 13: 193 119 105 163 120 91 176 194 171 121 247 515 325 0.981 30.36 8.1 92 94 92 95 529 16.1 0.194 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4704 2963.5 3.0 scans 72% 57 m/z 0.19% 0.223% 2317 0.8 402 503599 0.239% 7993740 7394044 8556917 3-1 19: 57 71 85 56 393 55 69 99 83 97 70 392 113 394 127 141 84 58 365 0.996 30.46 0.9 99 98 99 99 393 95.9 5.689 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2143 3051.8 3.0 scans 74% 57 m/z 0.15% 0.286% 2388 0.9 470 630305 0.302% 10265519 9931889 10812506 1-2 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 141 84 421 392 155 394 0.981 31.21 0.3 97 95 98 99 393 71.9 2.346 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1048 Hentriacontane 31.5257 3088.8 2.9 scans 79% 57 m/z 0.094% 0.463% 2418 0.7 600 1055873 16602332 15993606 2-1 20: 57 71 85 55 99 83 69 97 113 56 70 127 111 141 84 98 155 112 58 82 0.999 31.53 -0.7 99 98 100 98 436 34.8 0.335 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6846 3107.7 3.7 scans 20% 204 m/z 1.2% 0.0163% 2433 1.2 134 78297 0.0973% 585762 538763 3483632 0-2 13: 204 597 205 73 337 217 103 598 147 338 191 361 599 0.865 31.68 1.1 89 91 83 90 597 17.9 1.781 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8204 3123.8 3.0 scans 77% 502 m/z 0.097% 0.361% 2446 0.9 524 1020821 12959705 12358230 1-1 16: 502 237 503 73 236 504 238 277 221 223 208 239 74 505 193 235 0.994 31.79 3.4 100 99 98 100 502 257.7 24.196 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9456 3138.7 3.1 scans 41% 329 m/z 1.3% 0.103% 2458 1.0 265 73773 3707642 3490997 1-1 12: 329 368 458 353 330 328 369 459 443 255 247 354 0.937 31.87 9.3 95 95 92 96 458 41.3 2.426 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1192 3159.3 3.0 scans 52% 57 m/z 0.16% 0.258% 2474 1.0 452 597169 0.279% 9240206 9002202 9989037 3-1 17: 57 71 85 421 56 99 83 97 70 422 420 113 127 141 84 393 58 0.992 32.11 1.1 97 96 98 99 421 107.6 5.681 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1004 Campesterol 32.7999 3240.1 3.7 scans 69% 343 m/z 0.18% 0.938% 2539 0.6 757 546140 33603577 30014941 5-1 19: 343 129 382 472 367 95 344 107 75 383 121 119 145 105 342 81 159 93 255 0.872 32.21 70.0 83 94 91 98 472 114.0 2.267 0.590 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1046 Stigmasterol 32.9978 3263.6 3.2 scans 87% 83 m/z 0.12% 1.14% 2558 0.6 904 785906 41070072 40851465 1-0 20: 83 129 255 55 484 394 69 81 73 159 75 133 105 119 145 351 107 93 355 95 0.997 32.98 1.8 96 94 98 97 665 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN WTF2-N1034 b-Sitosterol 33.4828 3321.2 3.6 scans 68% 129 m/z 0.30% 0.478% 2604 0.7 582 325257 0.556% 17125587 15757683 19906467 2-5 19: 129 357 396 486 381 75 95 119 397 107 358 121 81 356 145 57 105 159 55 0.996 32.88 71.9 85 97 98 99 486 84.6 2.112 0.606 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.5954 3334.6 3.3 scans 33% 386 m/z 1.7% 0.102% 2614 1.0 258 55572 3674838 3468991 1-3 5: 386 296 387 257 371 0.960 33.58 1.3 89 88 90 93 505 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8911 3369.7 3.6 scans 11% 441 m/z 1.2% 0.0237% 2643 1.1 120 79384 849118 849118 0-1 6: 441 442 646 308 443 647 0.869 33.80 11.3 94 95 84 95 646 20.7 2.973 0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\N6_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5855 3452.2 3.9 scans 25% 596 m/z 0.52% 0.0791% 2709 0.9 212 191412 2833770 2703231 1-1 14: 596 597 598 316 599 302 315 356 318 330 288 357 454 304 0.949 34.47 13.5 98 97 91 99 596 111.6 27.657 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN EXBLK5S-N1006 Contamination 6.3722 1048.3 2.0 scans 64% 207 m/z 1.6% 0.0232% 27 1.4 109 62386 380925 368931 0-6 9: 207 295 208 209 296 191 297 279 133 0.934 6.63 -15.0 94 94 82 94 295 33.8 9.691 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1192 Contamination 7.9589 1142.4 2.2 scans 98% 73 m/z 0.083% 0.804% 178 1.0 609 1192702 13158638 13100409 2-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 103 75 100 149 131 134 236 0.996 7.99 -1.8 99 98 97 99 235 121.5 3.975 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1026 Cadaverine NC 8.1283 1152.4 2.5 scans 52% 174 m/z 3.7% 0.00975% 194 1.0 65 26672 159568 159568 1-0 8: 174 175 216 86 142 59 100 160 0.853 7.74 23.2 92 93 84 93 216 15.5 5.619 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1188 Contamination 8.3124 1163.3 2.6 scans 61% 281 m/z 6.7% 0.0120% 212 1.5 69 14733 0.0143% 197426 197426 234039 0-0 10: 281 147 369 282 283 370 148 265 207 371 0.914 8.41 -6.1 89 88 62 92 369 19.0 7.597 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1186 Phosphate 8.4923 1174.0 2.2 scans 97% 241 m/z 0.043% 0.910% 229 0.8 645 2325255 14905616 14139571 1-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 137 134 181 75 121 1.000 8.56 -4.0 100 100 99 100 299 9.8 0.023 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1180 Benzoic acid 9.6582 1242.5 2.7 scans 87% TIC 1.2% 0.0478% 339 0.9 133 79031 783812 770974 2-0 0.984 9.76 -6.0 99 99 95 99 194 21.1 2.524 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN VEN77_S6-N1002 Glycerol 10.0254 1264.0 5.5 scans 97% 300 m/z 0.015% 6.65% 374 0.3 1154 6645830 108866455 108866455 0-0 20: 300 301 315 211 316 302 284 298 285 194 121 212 303 317 167 213 253 136 210 197 0.965 10.09 -4.0 99 98 95 99 299 661.9 33.054 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LACTIC~1-N1034 Glycerol 10.0380 1264.8 3.1 scans 9.5% 147 m/z (299) 0.18% 0.469% 376 0.4 365 528797 7688668 7480764 1-1 20: 147 205 117 103 218 206 148 204 149 129 177 101 219 203 217 175 118 104 89 116 0.599 10.11 -4.2 85 96 59 94 293 27.7 0.578 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6567 1301.0 2.7 scans 70% 199 m/z (69 147) 1.1% 0.0888% 434 1.1 178 86431 1454069 1380153 2-1 19: 199 75 117 145 55 129 132 200 131 67 79 81 74 76 118 61 53 201 72 0.972 10.73 -4.6 94 97 91 99 209 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1168 Glyceric acid 10.9408 1318.1 2.7 scans 72% TIC 5.8% 0.0111% 461 1.5 68 16983 0.0337% 182097 171699 551547 1-0 0.914 11.05 -6.8 88 88 82 88 292 19.4 8.145 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9923 1321.2 2.5 scans 71% 184 m/z 4.3% 0.0180% 466 1.0 86 23218 294708 294708 0-0 13: 184 134 285 174 77 86 100 59 227 185 135 172 130 1.000 11.06 -4.3 96 96 89 96 285 26.4 9.381 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3711 1344.0 2.9 scans 21% 57 m/z (163) 0.37% 0.181% 502 1.0 246 269815 2963417 2877791 3-1 19: 57 97 115 145 127 69 129 59 111 58 109 128 71 72 98 87 201 113 70 0.592 11.45 -4.5 90 91 93 99 145 68.6 7.777 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1024 Contamination 10.96min 11.3869 1345.0 3.1 scans 90% TIC 0.037% 1.51% 504 0.6 694 2653543 1.56% 24842150 22779528 25531567 4-1 0.931 10.96 26.0 97 98 97 99 161 175.7 6.417 0.431 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN TAB_REP6-N1026 Malic acid 13.4503 1472.4 2.4 scans 95% TIC 0.18% 0.318% 700 0.8 363 544507 5204897 5016796 1-1 0.997 13.53 -5.2 99 98 98 98 335 41.5 1.308 -0.083 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2594 1524.6 2.6 scans 64% 263 m/z 1.3% 0.0263% 777 1.0 102 76627 430971 430971 1-0 7: 263 264 278 265 279 91 128 0.970 14.33 -4.4 94 93 84 97 278 27.4 7.166 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6550 1550.8 2.7 scans 93% TIC 0.51% 0.0986% 814 1.6 188 194580 0.168% 1614024 1567877 2749553 3-0 0.994 14.16 32.5 93 94 92 98 250 35.0 3.466 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1044 Dodecanol 14.7129 1554.6 2.5 scans 74% 243 m/z 2.2% 0.0232% 820 0.9 97 44570 379752 377195 1-0 11: 243 244 103 83 89 245 97 69 101 61 111 0.976 14.24 31.2 93 96 86 96 243 54.2 31.285 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN A-AMYRIN-N1010 Contamination?? 16.1786 1654.3 3.3 scans 75% TIC 1.6% 0.0367% 959 0.7 110 59021 0.0880% 601058 601058 1440242 0-0 0.971 16.28 -6.8 89 84 76 97 392 13.9 1.610 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1010 Glycerol-P 17.4655 1745.9 2.8 scans 98% TIC 0.051% 2.96% 1081 0.6 1032 1926102 48496642 47796163 1-1 1.000 16.97 36.4 96 99 99 100 445 159.1 2.377 0.497 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1086 Fructofuranose 18.1599 1796.6 2.8 scans 70% 217 m/z 3.1% 0.0204% 1148 1.4 87 31709 0.0414% 335470 303850 677569 1-0 13: 217 73 437 218 147 438 219 129 439 103 74 148 133 0.966 18.13 2.0 85 85 79 85 437 21.6 6.227 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4145 1815.8 4.1 scans 88% 73 m/z 0.036% 5.21% 1172 0.5 1153 2716217 85286237 82378554 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 58 78 133 66 77 213 90 75 0.929 17.91 37.6 93 99 93 99 327 109.0 0.894 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1012 Phytol 18.5513 1826.3 3.1 scans 96% 68 m/z 0.075% 2.82% 1185 0.5 956 1332247 3.00% 46295357 43760797 49099167 1-1 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 56 79 110 70 1.000 18.04 38.2 95 98 99 99 278 53.6 0.314 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1016 Hexadecene 18.6103 1830.8 2.9 scans 91% TIC 0.46% 0.275% 1190 1.7 300 217289 8.49% 4509485 4230901 138950644 0-1 0.998 18.10 38.4 87 88 94 97 280 40.3 1.807 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN C14-N1006 C14:0 1TMS STD 18.6376 1832.8 2.6 scans 64% 285 m/z (70) 2.2% 0.0479% 1193 1.0 136 43658 784289 752739 1-1 20: 285 117 73 75 132 129 145 286 131 118 74 287 133 116 61 76 300 130 201 241 0.957 18.73 -6.9 93 95 83 95 300 12.0 0.779 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1002 Phytol 18.8min 18.8396 1848.3 2.7 scans 96% 81 m/z 0.44% 0.429% 1212 1.0 410 225237 7025063 6742067 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 53 56 111 110 1.000 18.84 -0.0 100 100 100 100 278 43.9 1.148 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1018 Fructose 18.9406 1856.0 3.6 scans 65% TIC 2.6% 0.0277% 1222 1.4 100 37333 0.341% 453857 453857 5580939 0-0 0.962 18.52 31.7 86 88 83 90 364 8.8 0.765 0.416 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0858 1867.0 3.0 scans 95% 81 m/z 0.26% 0.822% 1235 0.8 530 380903 13457524 13441003 1-0 20: 81 82 68 95 57 123 69 55 83 79 67 71 96 97 109 124 278 53 56 111 0.998 18.58 38.6 93 96 98 99 278 66.6 1.580 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1068 Galactopyranose 19.2058 1876.2 2.8 scans 77% 204 m/z 1.6% 0.0357% 1247 1.2 119 61848 0.0483% 584574 561588 790497 1-0 15: 204 191 73 205 217 147 206 192 129 218 103 148 193 189 149 0.985 19.32 -8.3 87 86 87 86 435 0.0 0.000 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN BRA4_R~2-N1004 Galactose 19.2605 1880.4 2.9 scans 55% TIC 4.4% 0.0132% 1252 1.2 83 22326 0.553% 216389 216389 9050613 0-0 0.866 19.36 -7.7 87 87 78 88 364 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4615 1895.7 2.6 scans 70% 174 m/z 1.0% 0.0321% 1271 1.1 112 94641 525937 525937 0-0 9: 174 175 86 338 176 100 59 339 130 0.990 19.49 -2.1 85 84 80 86 338 21.9 3.815 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN GUA35_L1-N1008 Glucopyranose 20.2654 1960.1 2.7 scans 53% 204 m/z (117) 1.0% 0.0725% 1348 1.0 163 94473 0.0805% 1187277 1187277 1317494 0-0 19: 204 73 191 147 279 205 217 219 133 206 189 129 192 218 74 103 148 292 107 0.931 20.41 -11.9 84 86 82 88 217 34.5 4.470 -0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7683 2000.5 2.9 scans 93% TIC 0.82% 0.282% 1395 1.4 309 121756 0.292% 4630676 4363610 4778986 1-2 0.999 20.27 40.3 88 89 96 99 322 18.6 0.362 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1038 C16:0 21.1303 2030.9 2.7 scans 98% 313 m/z 0.052% 2.63% 1430 0.5 993 1894205 43117121 43117121 0-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 269 315 116 1.000 20.62 42.6 95 99 99 100 328 106.5 1.152 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN INOSIT~1-N1024 myo-Inositol 21.6511 2074.7 2.9 scans 73% 305 m/z 2.3% 0.0549% 1479 1.1 142 43093 899316 879690 1-1 17: 305 217 147 318 191 306 204 319 265 218 307 320 432 433 219 367 148 0.994 21.75 -8.2 92 92 89 92 507 8.4 0.349 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9478 2099.6 3.0 scans 67% TIC 3.5% 0.0402% 1507 1.4 120 28259 0.127% 658828 608514 2078531 1-0 0.967 22.33 -33.4 91 94 89 95 342 13.9 1.335 -0.382 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1646 2118.6 2.5 scans 4.4% 396 m/z (143) 7.5% 0.00906% 1528 1.2 61 13199 148284 145215 0-3 8: 396 219 397 381 398 220 307 221 0.738 22.19 -1.9 83 87 45 88 396 29.5 23.468 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1040 Phytol 22.6076 2157.3 2.9 scans 95% TIC 0.057% 0.927% 1570 0.8 563 1743242 1.00% 15179573 14407398 16366389 1-2 1.000 22.08 45.8 82 84 91 97 181 13.9 0.061 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1042 C18:2 23.0442 2195.4 4.5 scans 80% 75 m/z (342) 0.33% 1.08% 1612 0.9 489 294269 5.28% 17764055 17308107 86414535 1-0 20: 75 337 67 81 55 95 82 54 79 96 68 262 80 117 338 150 109 69 110 220 0.994 22.53 44.6 89 96 97 99 352 28.3 0.336 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1410 2204.0 3.1 scans 90% TIC 0.054% 4.60% 1621 0.6 1245 1819000 8.31% 75295789 75295789 136004694 0-0 0.995 23.12 2.2 95 94 97 94 350 85.2 0.468 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1820 2207.8 >3 scans 91% TIC 0.074% 1.95% 1625 1.1 837 1350121 8.64% 31967442 31967442 141405602 0-0 1.000 23.28 -9.0 89 85 70 94 450 31.7 0.143 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.2441 2213.4 4.1 scans 76% TIC 1.6% 0.154% 1631 1.1 222 62457 7.24% 2523314 2523314 118492657 0-0 0.995 23.26 -1.2 94 93 91 94 379 13.4 0.367 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3262 2220.9 3.1 scans 42% 148 m/z 1.5% 0.0312% 1638 1.1 108 64102 0.0715% 511241 511241 1170197 0-0 11: 148 95 149 286 162 108 178 147 163 122 150 0.849 23.34 -0.9 85 85 74 88 286 19.2 3.130 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1036 C18:0 23.3935 2227.1 2.8 scans 81% 117 m/z 0.17% 0.805% 1645 0.9 552 567772 13185725 12883900 1-2 20: 117 341 73 75 132 129 145 342 55 57 356 133 131 118 74 201 343 116 83 297 0.906 22.89 45.3 92 98 94 99 356 65.7 1.412 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1004 Prostaglandin 23.7576 2260.4 2.9 scans 96% 73 m/z 0.11% 1.35% 1679 0.9 688 882911 22239365 21958420 1-0 20: 73 169 231 143 75 211 81 147 156 195 117 183 170 182 181 221 79 93 107 74 1.000 23.76 -0.0 100 100 100 100 360 53.7 0.609 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1006 17-Methyltestosterone 23.8554 2269.3 3.3 scans 85% 73 m/z 0.15% 0.900% 1689 1.1 539 630577 1.27% 14732523 14153594 20785314 1-0 20: 73 143 360 293 117 345 75 407 144 147 69 265 130 169 346 361 333 257 115 318 0.998 23.88 -2.0 99 99 98 98 450 12.8 0.057 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1006 Androsterone 23.8891 2272.4 >4 scans 61% 143 m/z 0.25% 0.324% 1692 1.0 333 390074 1.02% 5314654 5314654 16693717 0-0 20: 143 187 135 75 255 188 144 145 107 93 202 157 159 134 105 121 270 80 156 136 0.991 23.89 0.0 100 100 100 100 345 5.1 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1010 Epitestosterone 23.9596 2278.9 2.8 scans 85% 143 m/z 0.51% 0.211% 1699 1.0 294 194781 2.06% 3462935 3462935 33714762 0-0 20: 143 73 75 135 144 80 168 93 81 107 360 155 145 255 157 105 121 95 74 119 1.000 23.96 -0.0 100 100 100 100 360 28.8 0.961 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0280 2285.1 3.2 scans 32% 143 m/z 4.1% 0.0191% 1705 1.6 93 23944 2.02% 313628 313628 33060106 0-0 16: 143 293 73 409 265 147 294 115 130 201 285 144 286 424 334 183 0.778 24.04 -0.8 82 83 68 84 424 11.3 1.489 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1711 2298.2 >4 scans 70% TIC 1.2% 0.100% 1719 1.2 191 81922 1.30% 1650400 1650400 21276306 0-0 0.987 24.18 -0.6 86 84 87 91 450 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1012 Androsterone 24.23min 24.2311 2303.8 6.9 scans 89% 143 m/z 0.056% 0.866% 1724 1.3 525 1764039 1.56% 14183918 14183918 25531567 0-0 20: 143 73 144 75 156 145 81 69 109 95 272 155 74 55 115 170 130 93 219 107 0.998 24.23 0.0 100 100 100 100 362 34.7 0.438 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1014 Androsterone 24.3min 24.2742 2307.9 >3 scans 94% 143 m/z 0.059% 0.741% 1729 1.2 516 1669299 1.68% 12131045 11936853 27495534 0-1 20: 143 73 144 75 81 156 145 69 95 155 109 55 74 219 272 115 93 67 130 170 1.000 24.27 0.0 100 100 100 100 362 29.6 0.329 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1016 Androsterone 24.5min 24.5173 2331.0 2.9 scans 59% 143 m/z 0.94% 0.0649% 1752 1.0 146 105431 0.0777% 1063675 980703 1271668 0-2 11: 143 144 300 180 284 179 93 315 301 80 374 0.939 24.52 0.0 100 100 100 100 362 7.7 0.281 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1018 myo-Inositol 25.2096 2396.8 3.0 scans 74% 318 m/z 0.67% 0.245% 1817 1.0 268 147387 4012568 3202615 13-7 19: 318 315 299 147 319 387 316 217 320 389 300 317 191 388 301 343 305 432 148 0.992 25.21 0.0 100 100 100 100 470 18.7 0.486 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2696 2402.6 3.9 scans 69% TIC 1.3% 0.138% 1823 1.3 196 75892 0.384% 2264504 2029956 6284693 0-3 0.955 25.28 -1.1 93 93 90 94 464 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1022 Steroid 25.47min 2422 25.4674 2422.2 2.9 scans 67% 143 m/z 0.84% 0.155% 1842 1.1 235 118890 2548362 2369519 4-1 18: 143 182 169 195 374 196 183 170 144 265 81 95 375 74 269 109 184 197 0.873 25.47 0.0 100 100 100 100 374 35.3 2.262 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6095 2436.3 3.3 scans 80% 91 m/z 0.25% 0.217% 1855 1.2 255 394673 3562663 3234432 2-5 20: 91 117 194 207 92 65 115 193 208 103 77 312 104 118 51 78 116 129 128 178 0.985 25.61 -0.0 100 100 100 100 312 28.4 1.246 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1024 Steroid 26.19min 2494 26.1934 2494.1 3.0 scans 84% TIC 0.33% 0.262% 1911 0.6 300 299408 0.314% 4289067 4289067 5139046 0-0 0.987 26.19 0.0 100 100 99 100 347 12.6 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3902 2514.2 2.8 scans 92% 204 m/z 0.087% 0.810% 1930 0.9 532 1147299 13267391 12447613 7-1 19: 204 73 205 147 217 495 206 117 363 129 130 74 103 496 273 191 131 231 218 0.998 26.35 4.2 93 92 97 92 495 78.8 2.198 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5501 2530.7 2.7 scans 50% 512 m/z (218) 1.5% 0.0622% 1945 1.0 154 62729 1018240 999013 1-0 16: 512 455 247 513 456 483 514 349 263 248 457 249 484 497 233 261 0.988 26.57 -2.4 93 95 85 95 512 51.0 10.915 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1028 C16:0-glycerol 26.9226 2569.2 2.7 scans 92% 371 m/z 0.075% 1.19% 1980 0.8 676 1319748 19561902 17994001 1-1 20: 371 73 372 147 57 129 205 203 55 103 239 71 373 459 116 101 75 145 85 117 1.000 26.39 54.6 91 98 98 100 459 80.9 1.434 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1010 Sucrose 27.4171 2620.9 2.8 scans 60% 361 m/z 0.78% 0.131% 2027 1.0 219 126597 2151119 2068408 1-0 20: 361 217 362 437 147 363 103 271 218 438 319 451 243 169 331 439 452 364 272 229 0.799 27.58 -17.3 97 97 90 97 437 35.7 2.658 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN LQC1-N1008 Sucrose 27.4213 2621.4 3.4 scans 69% TIC 0.76% 0.166% 2028 1.1 239 130422 0.403% 2720752 2451414 6595655 1-0 0.938 27.59 -18.1 92 90 81 95 437 34.1 2.023 -0.170 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6013 2640.6 3.2 scans 50% 99 m/z 1.2% 0.0835% 2045 0.9 175 82929 0.205% 1367737 1367737 3355110 0-0 18: 99 71 214 189 205 186 173 215 287 100 296 145 368 187 142 240 227 190 0.872 27.60 -0.0 100 100 100 100 368 14.6 0.696 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1028 Heptacosane 28.0348 2686.8 2.7 scans 65% 57 m/z (333) 0.59% 0.150% 2086 1.2 234 166871 0.179% 2456033 2232672 2929584 8-2 19: 57 71 85 55 99 56 83 97 70 113 127 84 98 86 112 141 111 58 72 0.968 28.04 0.0 99 100 100 100 380 15.1 0.419 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0358 2687.0 3.0 scans 72% TIC 0.57% 0.135% 2086 1.3 245 172694 0.266% 2219772 2219772 4353460 0-0 0.957 28.06 -2.8 82 86 88 83 542 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.3610 2722.8 3.1 scans 56% 99 m/z (85 218) 0.72% 0.140% 2117 1.8 195 138438 0.350% 2302137 1862086 5728236 0-4 19: 99 71 189 173 171 283 103 385 184 145 187 185 273 100 199 286 287 170 196 0.987 28.69 -36.6 82 88 90 91 603 0.0 0.000 -0.325 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3610 2722.8 3.1 scans 52% 99 m/z 0.77% 0.104% 2117 1.8 187 128322 0.261% 1717622 1389301 4271628 0-4 19: 99 71 189 173 171 283 103 385 184 145 187 185 273 100 199 286 287 170 196 0.928 28.41 -5.6 86 85 86 88 603 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1030 C18:0-2-glycerol 28.6672 2757.3 2.9 scans 80% 189 m/z 1.1% 0.222% 2146 1.1 311 87393 0.603% 3634453 3634453 9868933 0-0 20: 189 341 117 145 129 73 103 188 457 57 75 357 342 55 131 190 69 458 98 267 0.995 28.67 -0.0 100 100 100 100 457 44.1 2.011 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1030 C18:0-1-glycerol 28.7219 2763.4 2.8 scans 91% TIC 0.12% 0.785% 2151 0.9 537 774883 1.02% 12857535 12539425 16693717 0-4 1.000 28.19 59.5 90 98 98 100 487 63.6 1.405 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN SQUALENE-N1017 Squalene STD 29.0754 2803.2 2.9 scans 52% 69 m/z 1.2% 0.0436% 2185 1.3 130 77386 0.0758% 714355 647099 1240572 1-2 13: 69 81 136 137 68 121 123 109 149 82 122 135 94 0.970 29.09 -1.9 85 85 92 85 410 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1032 Sterol 29.17min 2814 29.1690 2813.7 3.6 scans 79% 99 m/z 0.22% 0.277% 2194 1.3 280 440434 0.292% 4538342 3960153 4778986 2-7 17: 99 71 81 100 283 256 97 98 185 356 355 257 169 109 241 196 255 0.994 29.17 0.0 100 100 100 100 355 24.1 0.739 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1034 Nonacosane 29.5047 2851.5 2.9 scans 82% 57 m/z 0.41% 0.224% 2226 1.1 277 240219 3674139 3315460 1-11 20: 57 71 85 55 99 56 69 83 365 113 70 127 84 98 111 141 58 364 393 86 0.995 29.50 -0.0 100 100 100 100 408 7.8 0.079 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1036 Nonacosane 29.82min 29.8267 2887.7 2.9 scans 84% 57 m/z 0.30% 0.284% 2256 1.1 311 324049 4655789 4170029 6-5 20: 57 71 85 55 99 69 83 56 70 97 113 84 127 111 98 141 58 112 72 86 0.996 29.83 0.0 100 100 100 100 408 17.6 0.321 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1038 Hexacosanol 30.1728 2928.1 2.9 scans 74% 439 m/z 0.55% 0.122% 2289 1.1 217 179871 2008452 1890878 1-4 17: 439 440 75 57 103 441 55 83 71 97 89 91 61 111 101 56 115 0.989 30.17 0.0 100 100 100 100 439 108.9 25.112 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1042 C20:0-2-glycerol 30.3812 2952.9 2.9 scans 55% 189 m/z 1.3% 0.157% 2309 1.3 234 75038 0.168% 2582529 2402817 2749553 1-1 14: 189 369 129 117 145 188 485 370 385 190 486 98 295 146 0.874 30.38 -0.0 100 100 100 100 485 39.8 2.885 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4632 2962.6 2.8 scans 87% 57 m/z 0.20% 0.405% 2317 0.9 386 491763 0.473% 6630873 6178050 7741302 1-2 20: 57 71 85 56 55 393 69 83 99 97 70 392 113 394 127 111 84 58 141 155 0.999 30.46 0.0 100 100 100 100 393 81.9 4.498 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2114 3051.5 2.8 scans 92% 57 m/z 0.11% 0.776% 2388 0.7 530 866577 0.818% 12701342 11982962 13387706 1-3 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 98 155 58 421 0.998 31.21 -0.0 100 100 100 100 393 74.5 1.974 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1048 Hentriacontane 31.5312 3089.5 3.3 scans 95% 57 m/z 0.048% 2.35% 2418 0.6 838 2082143 38481992 37133456 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 126 58 1.000 31.53 -0.0 100 100 100 100 436 46.4 0.306 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8111 3122.7 3.0 scans 85% 502 m/z 0.20% 0.458% 2445 0.9 406 495691 7512082 7302218 1-1 18: 502 237 73 503 236 238 467 504 57 277 55 71 468 221 239 223 74 208 0.997 31.79 2.3 95 92 93 99 502 180.8 19.839 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1020 Cholesterol 31.9353 3137.4 3.0 scans 85% 129 m/z 0.56% 0.531% 2457 0.8 434 178009 0.576% 8690650 8026711 9427040 1-1 20: 129 329 368 73 353 95 458 75 57 81 107 119 121 105 55 145 330 93 328 369 1.000 31.87 8.0 95 92 94 98 458 58.6 1.824 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1099 3158.2 3.0 scans 85% TIC 0.17% 0.453% 2473 1.1 420 564774 1.13% 7425963 7386195 18494020 1-0 0.995 32.11 -0.0 100 100 100 100 421 87.1 4.298 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1004 Campesterol 32.7770 3237.4 3.6 scans 65% 129 m/z (57) 0.41% 0.746% 2537 0.7 457 238159 0.817% 12221661 11188689 13371340 0-1 19: 129 343 382 472 367 95 75 121 107 119 81 105 145 344 383 342 93 91 159 0.969 32.21 67.3 83 96 87 97 472 67.7 2.196 0.567 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1002 Stigmasterol 32.9738 3260.8 4.8 scans 76% 73 m/z 0.15% 2.42% 2555 0.6 740 640003 2.75% 39721474 37365147 45007570 3-5 13: 73 74 281 342 231 358 313 238 275 325 669 290 114 0.806 32.42 65.9 85 98 80 97 665 62.7 0.000 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1046 Stigmasterol 32.9738 3260.8 4.8 scans 100% 73 m/z (309) 0.12% 3.54% 2555 0.6 878 781871 4.02% 58016771 54575144 65792884 3-5 13: 73 74 281 342 231 358 313 238 275 325 669 290 114 0.991 32.98 -1.0 98 99 100 100 665 8.5 0.000 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0969 3275.4 3.0 scans 84% 57 m/z 0.10% 0.893% 2567 1.0 568 980291 1.02% 14626594 14626594 16693717 0-0 20: 57 71 85 55 69 99 83 97 56 70 113 127 111 84 141 98 58 112 155 82 0.985 33.10 0.0 100 100 100 100 515 20.9 0.135 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3431 3304.6 3.5 scans 56% 217 m/z (471) 1.0% 0.244% 2590 1.2 260 92545 0.335% 3994039 3664488 5482740 0-2 19: 217 361 189 99 199 437 529 71 438 362 173 218 287 530 103 439 319 190 147 0.965 33.38 -4.3 94 96 89 95 529 45.1 3.000 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN WTF2-N1034 b-Sitosterol 33.4736 3320.1 3.4 scans 89% TIC 0.24% 1.40% 2603 1.0 638 400866 22915297 21162613 1-2 0.997 32.88 70.8 86 97 98 99 486 85.2 1.785 0.597 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1054 Steroid 33.58min 3333 33.5841 3333.3 3.1 scans 63% 386 m/z (99) 1.1% 0.412% 2613 1.0 358 90654 0.928% 6755823 6375400 15188009 2-3 10: 386 296 281 387 119 107 257 93 121 120 0.995 33.58 -0.0 99 100 100 100 505 5.8 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7198 3349.4 4.8 scans 23% 217 m/z 1.9% 0.0722% 2626 1.0 169 50173 0.596% 1182318 1182318 9754368 0-0 19: 217 485 99 479 486 169 369 243 362 230 220 480 319 451 363 452 487 100 320 0.541 33.75 -4.1 81 84 61 82 485 41.4 6.003 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2196 3408.7 4.2 scans 76% TIC 0.23% 0.595% 2674 1.2 406 433725 0.948% 9746901 9709862 15515337 1-1 0.985 34.22 0.0 100 99 99 100 499 93.2 5.277 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4353 3434.4 3.9 scans 70% 73 m/z 0.54% 0.497% 2694 1.3 385 183819 0.803% 8149123 8149123 13142210 0-0 20: 73 109 361 103 169 217 127 201 243 289 147 362 129 507 75 273 257 183 218 325 0.885 34.44 -0.0 100 100 100 100 543 34.8 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4385 3434.7 3.8 scans 63% 271 m/z (421) 0.66% 0.466% 2695 1.2 343 150512 0.633% 7640168 7426096 10359924 1-0 19: 271 331 505 109 241 223 506 127 201 475 272 243 332 289 507 273 491 257 476 0.980 34.59 -17.9 96 97 94 98 596 0.0 0.000 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5721 3450.6 3.6 scans 32% 596 m/z 0.83% 0.0980% 2707 1.0 166 120271 0.0981% 1604631 1565892 1605543 0-1 15: 596 597 598 316 599 302 318 356 315 317 303 342 300 357 370 0.926 34.47 11.9 95 94 87 98 596 89.0 28.796 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN EXBLK5S-N1006 Contamination 6.3680 1048.1 2.1 scans 70% 207 m/z 0.94% 0.0379% 27 1.1 163 107599 931711 912760 0-4 15: 207 295 208 209 89 296 104 119 191 297 148 279 193 177 189 0.955 6.63 -15.2 94 93 82 94 295 43.8 7.196 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN BRA4_R~4-N1014 Lactic acid 6.8825 1078.6 >7 scans 13% 117 m/z 25% 0.00274% 75 0.3 32 3935 0.0127% 67272 67272 311680 0-0 2: 117 191 0.965 6.82 3.7 81 85 75 89 295 0.0 0.000 0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8326 1134.9 7.1 scans 53% 147 m/z 3.5% 0.00970% 166 1.0 69 28952 0.340% 238197 238197 8344196 0-0 6: 147 73 148 74 66 149 0.928 7.79 2.3 83 81 79 92 219 6.3 0.832 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1192 Contamination 7.9999 1144.8 2.2 scans 98% 147 m/z 0.067% 0.701% 182 0.8 668 1496092 17208810 16798361 5-0 20: 147 73 133 220 235 148 59 146 72 86 74 89 75 160 103 100 149 131 134 221 0.996 7.99 0.6 99 98 97 99 235 134.9 4.080 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1026 Cadaverine NC 8.1252 1152.2 3.0 scans 70% TIC 2.5% 0.0104% 194 1.2 82 39280 0.0360% 257574 257574 883503 0-0 0.991 7.74 23.0 92 91 85 95 216 19.6 5.656 0.389 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1188 Contamination 8.3072 1163.0 2.2 scans 74% 281 m/z 2.9% 0.0146% 211 1.0 101 34086 358808 358418 1-0 13: 281 147 369 282 283 370 249 148 371 265 207 149 191 0.882 8.41 -6.4 94 93 69 97 369 28.3 7.846 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1186 Phosphate 8.5208 1175.7 2.3 scans 97% 241 m/z 0.065% 0.417% 231 1.0 506 1546650 10240094 9946618 1-1 20: 241 242 133 73 211 163 243 256 135 195 98 59 89 147 119 137 134 181 121 75 1.000 8.56 -2.3 100 99 99 100 299 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1180 Benzoic acid 9.6866 1244.2 2.6 scans 63% 179 m/z 5.3% 0.00625% 342 1.5 60 19090 0.00852% 153566 152099 209096 0-2 7: 179 105 135 77 180 194 51 1.000 9.76 -4.3 96 96 88 96 194 10.3 2.956 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN VEN77_S6-N1002 Glycerol 10.0486 1265.4 5.4 scans 91% 299 m/z 0.015% 4.35% 377 0.4 1121 6655799 106843233 105920075 1-0 20: 299 73 300 314 301 133 207 283 315 211 193 191 74 135 75 59 131 225 115 284 0.972 10.09 -2.6 99 98 94 99 299 642.2 32.981 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LACTIC~1-N1034 Glycerol 10.0549 1265.8 2.8 scans 8.7% 147 m/z (299) 0.19% 0.270% 377 0.5 347 513959 6644328 6527399 3-0 20: 147 205 117 103 218 206 148 149 204 129 203 219 101 104 118 175 217 116 293 220 0.676 10.11 -3.2 87 95 58 94 293 25.3 0.531 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6736 1302.0 3.0 scans 75% TIC 1.1% 0.0789% 436 0.8 193 90989 1937985 1859092 1-1 0.813 10.73 -3.6 97 95 93 99 209 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1168 Glyceric acid 10.9535 1318.9 2.4 scans 64% 292 m/z 7.3% 0.00752% 463 1.0 67 13784 184600 184600 0-0 8: 292 189 133 205 103 102 293 307 0.950 11.05 -6.0 86 86 71 88 292 18.8 7.968 -0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0103 1322.3 2.5 scans 77% 184 m/z 3.2% 0.0189% 468 1.0 107 30818 466009 464560 1-0 17: 184 134 285 174 86 77 100 59 286 185 227 175 135 186 172 127 130 0.998 11.06 -3.2 94 93 82 96 285 29.2 7.500 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3870 1345.0 2.9 scans 15% 57 m/z (84) 0.39% 0.117% 504 0.8 226 258092 0.123% 2891676 2678038 3018636 4-1 18: 57 115 97 145 127 69 129 59 111 109 128 72 98 87 201 113 114 96 0.894 11.45 -3.5 93 97 89 98 145 68.4 9.154 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1024 Contamination 10.96min 11.4070 1346.2 2.9 scans 95% 84 m/z 0.034% 1.03% 506 0.7 706 2927889 25311048 24655517 2-4 20: 84 133 162 161 119 92 118 65 51 85 82 130 78 134 117 63 120 91 163 52 0.991 10.96 27.2 97 97 97 99 161 182.1 6.665 0.451 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN TAB_REP6-N1026 Malic acid 13.4556 1472.7 2.6 scans 94% TIC 0.30% 0.142% 700 1.0 282 328766 3499987 3416339 1-1 0.998 13.53 -4.9 99 98 97 98 335 32.8 1.351 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1138 Pyroglutamic acid 13.9501 1504.1 2.9 scans 38% 156 m/z 9.0% 0.00241% 747 0.9 35 11270 59333 59333 0-0 2: 156 157 0.975 14.11 -10.6 88 89 78 89 273 0.0 0.000 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2658 1525.0 2.6 scans 57% 263 m/z 1.0% 0.0312% 777 1.0 130 101263 765722 761773 0-1 14: 263 264 278 447 265 279 175 448 449 247 128 207 119 191 0.967 14.33 -4.0 83 77 81 96 278 31.2 5.761 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5657 1544.9 2.6 scans 63% 73 m/z 3.5% 0.0141% 806 0.8 88 28769 347780 309121 4-1 17: 73 292 147 220 205 217 293 103 199 148 74 221 133 102 294 143 149 0.987 14.62 -3.7 85 84 80 87 409 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6635 1551.4 2.7 scans 93% TIC 0.36% 0.0832% 815 1.3 216 279418 0.178% 2044228 2018168 4368432 3-0 0.999 14.16 33.1 92 93 91 98 250 40.1 3.451 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1044 Dodecanol 14.7151 1554.8 >4 scans 81% TIC 1.9% 0.0240% 820 1.1 112 52546 0.160% 589415 587315 3926680 0-1 1.000 14.24 31.4 94 96 89 97 243 57.1 25.892 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN A-AMYRIN-N1010 Contamination?? 16.1818 1654.5 3.7 scans 65% TIC 1.4% 0.0275% 959 0.9 109 69057 0.0718% 674930 648292 1762098 1-0 0.914 16.28 -6.6 93 91 84 98 392 14.6 1.797 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5322 1678.8 3.0 scans 58% 55 m/z 3.8% 0.0138% 993 1.5 81 26478 0.0246% 340536 275971 603727 0-3 17: 55 83 56 97 70 69 82 84 111 68 98 127 140 67 54 125 81 0.907 16.63 -6.6 83 85 76 83 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1010 Glycerol-P 17.4676 1746.0 2.6 scans 97% 357 m/z 0.051% 1.84% 1082 0.7 1009 1989405 45369169 43333950 1-1 20: 357 299 73 358 147 315 300 370 445 211 359 103 101 301 256 387 133 129 218 328 1.000 16.97 36.5 96 99 99 100 445 158.1 2.457 0.500 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN TAB_REP6-N1048 Citric acid 18.2305 1801.8 2.6 scans 53% 273 m/z 3.7% 0.0134% 1154 1.0 88 26898 329399 309277 1-1 14: 273 363 274 375 347 275 465 149 305 211 364 257 231 376 0.950 18.24 -1.0 89 88 83 91 465 12.4 1.979 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4188 1816.2 4.1 scans 95% TIC 0.032% 4.18% 1172 0.5 1220 3132126 102665378 98107601 1-2 0.993 17.91 38.0 96 99 98 100 327 114.8 0.886 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1012 Phytol 18.5524 1826.3 2.9 scans 98% 68 m/z 0.077% 1.75% 1185 0.6 925 1315521 1.90% 43094841 42322571 46629330 1-0 20: 68 95 82 123 57 69 55 81 67 83 71 97 96 109 124 111 79 56 70 110 1.000 18.04 38.2 95 98 99 99 278 53.3 0.332 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1016 Hexadecene 18.6166 1831.2 3.1 scans 88% TIC 0.42% 0.210% 1191 1.5 311 240344 5.69% 5162409 5162409 139642572 0-0 0.996 18.10 38.8 83 83 93 97 280 42.8 1.889 0.514 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN C14-N1006 C14:0 1TMS STD 18.6419 1833.2 2.7 scans 54% 285 m/z 1.6% 0.0434% 1193 1.1 152 60670 0.830% 1066499 1005515 20369655 12-0 18: 285 117 75 132 129 286 145 131 118 116 300 201 287 241 61 257 76 130 0.996 18.73 -6.5 95 94 82 94 300 15.0 0.968 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1002 Phytol 18.8min 18.8460 1848.7 2.7 scans 95% TIC 0.48% 0.285% 1213 1.0 390 211171 0.355% 7017400 6927344 8712322 0-3 0.998 18.84 0.4 96 95 99 96 278 42.9 1.207 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9407 1856.0 2.7 scans 78% 73 m/z 1.0% 0.0570% 1222 1.0 170 100285 0.0835% 1399166 1271262 2049236 2-2 20: 73 103 307 217 147 308 218 277 205 133 104 189 309 74 117 364 124 89 204 148 0.995 18.40 41.0 92 97 96 97 364 16.1 0.900 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1018 Fructose 19.0596 1865.0 3.0 scans 41% 73 m/z 1.2% 0.0491% 1233 1.4 148 84165 0.0969% 1205861 977682 2378096 2-6 20: 73 103 307 217 147 308 277 218 89 309 104 205 262 74 148 364 133 219 191 202 0.954 18.52 40.7 87 92 90 95 364 14.3 0.932 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0912 1867.4 2.8 scans 95% 81 m/z 0.24% 0.533% 1236 0.9 533 412677 13104736 12810338 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 53 111 56 0.997 18.58 39.0 93 96 98 99 278 70.1 1.729 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN BRA4_R~2-N1004 Galactose 19.2606 1880.4 2.7 scans 77% 73 m/z 0.83% 0.0698% 1252 0.9 196 122245 0.116% 1714574 1587464 2846843 0-1 20: 73 319 205 160 147 320 217 103 206 321 117 74 229 148 189 207 133 161 89 157 0.992 19.36 -7.7 95 94 92 95 364 12.1 0.379 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4678 1896.2 2.8 scans 58% 174 m/z 1.0% 0.0227% 1272 1.0 109 100256 558940 521316 1-1 8: 174 175 338 176 86 339 334 130 0.958 19.49 -1.6 87 86 79 89 338 22.4 4.249 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9024 1930.9 2.6 scans 14% 299 m/z (204) 5.8% 0.0103% 1313 1.0 78 17300 254574 254574 0-0 5: 299 300 231 201 146 0.957 19.97 -5.7 82 84 61 92 314 5.7 0.000 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9108 1931.6 2.6 scans 62% 204 m/z 0.70% 0.0534% 1314 1.1 170 144373 1311570 1177925 3-3 10: 204 217 205 159 206 218 160 305 243 291 0.920 19.91 -0.1 93 93 89 94 361 5.9 0.118 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7820 2001.7 2.8 scans 95% TIC 0.25% 0.612% 1397 0.9 556 399834 0.668% 15043101 14556598 16393891 1-3 0.999 20.27 41.5 83 83 94 98 322 35.8 0.415 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1038 C16:0 21.1503 2032.6 3.3 scans 97% 313 m/z 0.030% 3.51% 1432 0.4 1237 3348032 86233071 83002635 1-1 20: 313 117 73 132 75 129 145 314 55 131 328 133 118 57 69 201 74 315 269 116 1.000 20.62 44.3 94 99 99 100 328 140.3 1.288 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN INOSIT~1-N1024 myo-Inositol 21.6596 2075.4 2.8 scans 53% 305 m/z 2.4% 0.0316% 1480 1.1 129 41192 776538 700547 3-2 18: 305 217 318 147 191 306 265 319 218 204 307 432 320 219 367 433 192 291 0.986 21.75 -7.5 92 92 77 92 507 8.6 0.444 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9542 2100.2 2.8 scans 68% 327 m/z 1.5% 0.0655% 1508 1.3 184 65370 0.0741% 1608820 1488150 1818544 1-4 11: 327 117 132 129 145 328 342 329 201 116 283 0.938 22.33 -32.8 93 96 92 97 342 21.7 1.381 -0.376 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1751 2119.5 2.9 scans 5.5% 396 m/z (143) 4.1% 0.0117% 1529 1.2 76 24329 0.0131% 287671 277304 321497 1-0 9: 396 219 397 381 398 220 382 307 249 0.594 22.19 -1.0 84 88 48 91 396 38.8 25.822 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1040 Phytol 22.6171 2158.1 3.4 scans 91% TIC 0.068% 0.566% 1571 0.7 495 1484599 0.716% 13911003 13065953 17571895 1-2 0.991 22.08 46.6 81 83 89 97 181 13.8 0.078 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1821 2207.8 5.5 scans 87% TIC 0.039% 9.51% 1625 0.5 1467 2562393 10.7% 233436238 193255564 262596752 0-6 0.981 23.12 6.0 94 94 96 93 350 101.5 0.479 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2137 2210.7 4.1 scans 73% 169 m/z (79) 0.090% 1.76% 1628 0.4 738 1126031 1.84% 43260412 39289216 45156825 6-3 17: 169 143 231 211 156 170 181 183 195 141 182 269 232 197 196 209 212 0.948 23.28 -6.1 86 86 70 92 450 31.3 0.180 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3441 2222.6 >3 scans 44% TIC 1.7% 0.0156% 1640 1.4 125 56960 0.520% 383457 383457 12761711 0-0 0.974 23.34 0.8 84 82 76 89 286 17.7 2.023 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1036 C18:0 23.4073 2228.4 3.0 scans 87% TIC 0.11% 0.944% 1646 1.1 674 912524 0.962% 23169761 21934785 23609166 0-2 0.950 22.89 46.6 93 99 95 99 356 84.6 1.576 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4241 2229.9 3.7 scans 28% 258 m/z (341) 1.3% 0.136% 1648 1.1 232 76466 3352584 3202788 1-1 18: 258 348 265 259 349 138 305 120 274 293 137 379 164 331 364 306 152 170 0.824 23.26 15.3 87 90 65 90 379 20.0 0.746 0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1004 Prostaglandin 23.7650 2261.1 2.9 scans 93% 73 m/z 0.11% 0.917% 1680 0.9 681 891667 1.97% 22522940 21157096 48347252 5-3 20: 73 169 231 143 211 81 75 147 156 195 117 182 170 181 183 79 221 93 107 74 1.000 23.76 0.7 100 99 99 99 360 54.7 0.646 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1006 17-Methyltestosterone 23.8660 2270.3 3.8 scans 85% TIC 0.13% 0.830% 1690 1.6 551 739645 2.00% 20383428 20348232 49083505 1-0 0.955 23.88 -1.0 99 99 94 98 450 12.4 0.051 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1006 Androsterone 23.8986 2273.3 >3 scans 55% 143 m/z 0.26% 0.211% 1693 1.1 321 377349 0.689% 5183632 5183632 16909267 0-0 20: 143 187 135 188 75 255 144 107 202 145 134 121 156 80 229 189 93 136 159 157 0.998 23.89 0.9 99 98 99 99 345 5.1 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1010 Epitestosterone 23.9681 2279.6 2.9 scans 82% 143 m/z 0.46% 0.166% 1699 1.0 295 218617 1.53% 4089850 4089850 37548881 0-0 19: 143 73 135 75 144 80 93 107 81 157 145 255 121 187 134 105 159 169 345 0.994 23.96 0.7 100 99 99 99 360 30.6 1.080 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0375 2286.0 3.0 scans 18% 143 m/z 4.2% 0.00920% 1706 1.3 78 23920 0.951% 226001 226001 23339207 0-0 17: 143 293 294 409 265 286 147 115 334 424 299 130 201 292 144 183 319 0.801 24.04 0.1 81 82 49 82 424 12.0 2.342 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1028 Glycerolgalactose 24.1438 2295.7 3.2 scans 26% 204 m/z 1.3% 0.0234% 1716 1.1 103 77921 0.0370% 574922 570446 908045 0-1 8: 204 337 206 338 219 361 339 203 0.849 24.01 12.2 83 86 65 85 490 0.0 0.000 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1012 Androsterone 24.23min 24.2396 2304.6 3.3 scans 85% 143 m/z 0.051% 0.537% 1725 1.1 534 1988459 1.20% 13181668 13181668 29450103 0-0 19: 143 73 144 75 156 145 81 69 95 155 272 109 115 74 219 170 93 130 67 0.994 24.23 0.8 99 98 99 99 362 36.2 0.460 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1014 Androsterone 24.3min 24.2806 2308.5 >4 scans 89% 143 m/z 0.055% 0.566% 1729 0.9 520 1847714 1.23% 13894652 12793985 30186356 0-1 20: 143 73 144 75 81 156 145 69 95 109 155 55 115 219 74 272 93 67 130 170 1.000 24.27 0.6 100 99 99 99 362 32.0 0.380 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1016 Androsterone 24.5min 24.5258 2331.8 3.0 scans 41% 143 m/z 1.0% 0.0386% 1752 1.0 132 98799 0.0678% 949439 870494 1663931 0-4 9: 143 144 300 180 284 179 301 362 228 0.903 24.52 0.8 92 92 86 97 362 7.8 0.349 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1018 myo-Inositol 25.2139 2397.2 3.3 scans 79% TIC 0.44% 0.237% 1818 0.9 331 230662 0.518% 5840377 5840377 12712628 0-0 0.986 25.21 0.4 97 95 95 99 470 21.9 0.438 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2749 2403.2 >5 scans 59% TIC 1.2% 0.101% 1824 1.3 196 82728 0.345% 2502929 2027954 8466905 0-4 0.964 25.28 -0.5 93 93 88 93 464 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1022 Steroid 25.47min 2422 25.4738 2422.9 3.0 scans 43% 143 m/z (369) 0.99% 0.115% 1843 1.1 220 102625 2845155 2456552 5-2 19: 143 182 169 195 374 196 183 170 265 144 81 95 269 375 109 184 284 197 115 0.901 25.47 0.7 93 96 93 97 374 35.8 2.644 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6169 2437.0 3.1 scans 58% 91 m/z 0.50% 0.0720% 1856 1.3 181 202431 1768008 1658847 3-4 17: 91 117 194 207 92 115 208 65 193 312 104 118 51 374 179 116 128 0.948 25.61 0.7 91 90 95 95 312 20.3 1.258 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1024 Steroid 26.19min 2494 26.2009 2494.8 2.9 scans 74% 143 m/z 0.32% 0.178% 1912 0.7 289 310882 0.194% 4375581 4062321 4761100 6-1 16: 143 192 177 81 144 191 156 169 95 155 272 170 122 109 136 178 0.962 26.19 0.7 97 97 96 99 347 10.8 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2987 2504.7 2.8 scans 43% 204 m/z 1.1% 0.0368% 1921 1.1 145 89723 0.547% 904649 820020 13424339 3-0 12: 204 217 205 219 206 218 305 214 189 161 101 220 0.947 25.86 44.0 85 89 86 97 361 3.3 0.000 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3944 2514.6 3.1 scans 90% 204 m/z 0.071% 0.673% 1930 0.8 564 1415708 0.711% 16529291 15673848 17449186 1-1 19: 204 73 205 147 495 206 117 363 496 273 130 74 103 129 191 319 231 143 497 0.993 26.35 4.6 93 92 96 92 495 82.9 2.165 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5617 2531.9 6.2 scans 59% TIC 0.81% 0.0578% 1946 1.0 193 124660 0.106% 1420392 1409826 2601426 1-0 0.983 26.57 -1.2 93 92 81 94 512 53.5 7.644 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1028 C16:0-glycerol 26.9311 2570.0 2.7 scans 94% 371 m/z 0.048% 1.19% 1981 0.8 810 2089145 29359281 28639223 1-1 20: 371 73 372 147 57 129 205 203 239 103 55 373 71 459 75 116 145 85 117 101 1.000 26.39 55.4 90 98 98 100 459 99.5 1.512 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1010 Sucrose 27.4214 2621.4 2.9 scans 38% 361 m/z 0.78% 0.0824% 2028 1.0 204 128829 2024215 2024215 0-0 17: 361 217 362 437 363 103 271 438 218 243 319 364 439 219 272 320 230 0.755 27.58 -16.8 95 95 85 96 437 35.0 2.948 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN LQC1-N1008 Sucrose 27.4277 2622.1 4.1 scans 62% TIC 0.60% 0.158% 2028 1.3 260 168191 0.658% 3879862 3782236 16148473 1-0 0.858 27.59 -17.4 87 84 72 92 437 33.3 1.644 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6045 2640.9 3.3 scans 26% 99 m/z 1.0% 0.0579% 2045 1.0 176 94555 0.145% 1423331 1423331 3558554 0-0 17: 99 71 214 189 173 296 186 100 368 287 227 142 240 190 200 228 216 0.696 27.60 0.3 87 88 84 96 368 16.7 0.895 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1028 Heptacosane 28.0411 2687.5 2.9 scans 54% 57 m/z (333) 0.60% 0.125% 2087 1.0 228 168896 0.138% 3089886 2581344 3386762 9-6 20: 57 71 85 55 99 56 69 97 83 70 113 127 84 141 98 86 58 380 140 126 0.952 28.04 0.7 87 89 94 95 380 15.5 0.462 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0422 2687.6 3.1 scans 63% TIC 0.57% 0.0911% 2087 1.0 246 177424 0.153% 2236694 2204233 3754888 0-1 0.940 28.06 -2.2 87 90 90 87 542 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3663 2723.4 3.1 scans 39% 99 m/z 0.73% 0.0780% 2117 1.7 180 137419 0.167% 1914452 1557999 4098473 1-3 19: 99 71 189 173 171 283 184 385 187 100 170 288 285 273 185 286 287 196 386 0.850 28.41 -5.0 85 85 78 88 603 5.5 0.093 -0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1030 C18:0-2-glycerol 28.6725 2757.9 >4 scans 76% TIC 1.1% 0.166% 2147 1.4 304 88866 0.788% 4096754 4096754 19338901 0-0 0.997 28.67 0.6 99 98 98 99 457 42.4 1.953 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1030 C18:0-1-glycerol 28.7293 2764.3 2.7 scans 89% 399 m/z 0.079% 0.755% 2152 0.8 636 1281690 0.823% 18552139 17862644 20197862 0-1 18: 399 73 400 147 129 57 205 203 103 55 487 401 71 116 145 101 85 69 0.990 28.19 60.4 89 97 96 99 487 80.4 1.600 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1032 Sterol 29.17min 2814 29.1744 2814.3 3.6 scans 70% 99 m/z 0.20% 0.206% 2194 1.4 285 496891 0.212% 5061712 4403875 5202852 4-11 16: 99 71 81 100 173 269 283 256 98 356 185 169 355 257 196 255 0.986 29.17 0.6 98 96 97 99 355 24.3 0.725 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1034 Nonacosane 29.5100 2852.1 2.9 scans 74% 57 m/z 0.37% 0.161% 2226 1.1 291 270906 3958958 3600539 2-11 20: 57 71 85 55 99 56 69 365 83 113 70 127 393 111 84 141 366 98 364 58 0.996 29.50 0.6 98 96 99 100 408 8.6 0.088 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1036 Nonacosane 29.82min 29.8341 2888.5 2.9 scans 79% 57 m/z 0.27% 0.211% 2257 1.0 331 371962 5201951 4770378 5-5 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 98 141 58 72 86 155 0.996 29.83 0.8 98 96 99 100 408 20.0 0.365 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1038 Hexacosanol 30.1803 2929.0 2.9 scans 64% 439 m/z 0.44% 0.0958% 2290 0.9 228 230188 0.100% 2353148 2306203 2454175 1-2 10: 439 440 75 103 441 97 89 61 442 423 0.986 30.17 0.9 100 100 99 100 439 119.4 27.369 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1042 C20:0-2-glycerol 30.3886 2953.8 3.0 scans 45% 189 m/z (204 73) 1.2% 0.158% 2310 1.3 260 80840 0.179% 3899010 3735731 4392974 1-1 17: 189 369 145 117 188 485 370 385 486 190 295 98 386 84 146 277 410 0.940 30.38 0.9 89 92 74 98 485 40.4 2.417 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4160 2957.0 4.3 scans 55% 73 m/z 0.51% 0.210% 2312 0.8 288 195461 5166109 4963990 1-2 20: 73 411 147 427 206 412 515 428 133 74 148 307 143 223 149 157 529 177 413 275 0.818 30.36 6.9 81 82 81 84 529 11.7 0.165 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4675 2963.1 2.8 scans 81% 57 m/z 0.18% 0.308% 2317 0.9 404 552625 0.361% 7576985 7401812 8859573 0-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 84 141 58 365 0.999 30.46 0.5 99 98 99 100 393 91.0 5.070 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2156 3052.0 3.1 scans 87% 57 m/z 0.11% 0.594% 2388 0.8 535 898644 14581473 14305827 1-0 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 155 98 421 394 0.995 31.21 0.5 100 99 100 100 393 78.6 2.153 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1048 Hentriacontane 31.5376 3090.2 3.3 scans 93% 57 m/z 0.042% 1.78% 2419 0.6 890 2394624 43846953 42609169 1-1 20: 57 71 85 99 55 69 83 97 113 56 70 127 111 84 141 98 155 169 112 126 1.000 31.53 0.7 100 100 100 100 436 51.4 0.334 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8185 3123.6 3.0 scans 76% 502 m/z 0.17% 0.344% 2446 0.9 407 566088 8442416 8176035 1-1 15: 502 237 503 73 236 238 504 277 221 223 239 74 208 505 235 0.989 31.79 3.2 95 92 92 99 502 187.3 21.130 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1020 Cholesterol 31.9437 3138.4 3.2 scans 78% 329 m/z 0.54% 0.388% 2458 0.9 427 187910 9543993 9522112 0-1 16: 329 129 368 458 353 95 330 107 121 105 81 145 119 369 328 93 0.993 31.87 9.0 95 93 94 98 458 60.1 1.979 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1153 3158.8 2.9 scans 77% 57 m/z 0.15% 0.380% 2474 0.9 445 647560 0.454% 9340341 8910521 11141956 3-5 20: 57 71 56 85 421 55 69 83 97 99 70 113 420 422 111 127 84 141 58 155 0.994 32.11 0.6 99 98 99 100 421 97.7 4.818 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1004 Campesterol 32.7866 3238.5 3.7 scans 51% 129 m/z (57) 0.40% 0.549% 2538 0.6 450 249630 0.589% 13475518 12582465 14455092 0-1 19: 129 343 382 472 367 95 75 107 344 121 81 119 145 383 105 342 93 91 255 0.943 32.21 68.4 82 95 83 97 472 70.3 2.438 0.577 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1046 Stigmasterol 32.9886 3262.5 3.9 scans 80% TIC 0.11% 1.97% 2557 0.5 877 850330 48414103 43736756 5-0 0.906 32.98 0.7 98 98 98 99 665 74.1 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1052 Hydrocarbon 33.09min 33.1033 3276.2 3.0 scans 76% 57 m/z 0.086% 0.813% 2568 0.8 629 1178933 1.32% 19957877 19579590 32395113 3-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.985 33.10 0.8 94 91 98 99 515 23.4 0.139 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3495 3305.4 3.6 scans 39% 99 m/z (471) 0.87% 0.220% 2591 0.9 287 116183 0.299% 5410687 4929504 7337984 0-3 20: 99 217 189 361 437 199 529 71 73 438 287 173 530 218 362 439 169 200 451 103 0.956 33.38 -3.5 94 96 92 96 529 49.4 2.964 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN WTF2-N1034 b-Sitosterol 33.4821 3321.1 3.6 scans 76% TIC 0.23% 0.865% 2604 0.9 641 431425 2.02% 21232121 20061335 49574340 4-2 0.992 32.88 71.8 85 97 97 99 486 89.0 1.926 0.605 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1054 Steroid 33.58min 3333 33.5925 3334.3 3.2 scans 49% 386 m/z (99) 0.94% 0.318% 2614 0.9 367 107758 0.344% 7811035 7119728 8442363 5-4 5: 386 296 281 387 371 0.987 33.58 1.0 94 95 97 99 505 5.7 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8903 3369.6 3.4 scans 8.1% 441 m/z 1.5% 0.0209% 2642 0.9 93 65093 513956 512828 0-1 7: 441 442 308 646 443 647 510 0.561 33.80 11.2 89 90 63 94 646 18.0 3.740 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2270 3409.6 3.8 scans 59% 99 m/z 0.20% 0.437% 2675 0.9 414 500183 10748223 9738952 3-2 16: 99 217 499 71 361 169 500 218 362 100 383 230 363 319 257 451 0.984 34.22 0.9 99 98 98 100 499 104.3 6.353 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4459 3435.6 3.8 scans 43% 271 m/z (421) 0.66% 0.320% 2695 1.1 343 153196 0.432% 7871136 7422423 10602037 1-0 19: 271 505 331 109 241 506 475 223 127 272 201 289 332 507 243 273 491 476 325 0.937 34.59 -17.0 94 96 89 98 596 0.0 0.000 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4459 3435.6 3.8 scans 51% 271 m/z 0.54% 0.346% 2695 1.1 373 185260 0.467% 8512832 8027537 11460998 1-0 19: 271 505 331 109 241 506 475 223 127 272 201 289 332 507 243 273 491 476 325 0.822 34.44 1.2 96 98 90 99 543 36.7 0.000 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5816 3451.7 3.7 scans 26% 596 m/z 0.57% 0.106% 2708 1.0 203 178088 2603219 2354665 3-2 12: 596 597 598 316 599 356 318 315 303 300 330 304 0.966 34.47 13.0 95 93 80 99 596 105.0 26.743 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN EXBLK5S-N1006 Contamination 6.3689 1048.1 1.9 scans 64% 207 m/z 0.77% 0.0240% 27 0.9 145 130121 663060 619355 1-1 13: 207 295 208 209 296 191 297 279 193 177 210 192 247 0.950 6.63 -15.2 96 96 86 96 295 48.6 11.223 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8546 1136.2 2.9 scans 45% 147 m/z (89) 5.2% 0.00560% 168 0.8 57 19173 0.124% 154829 154829 3424631 0-0 5: 147 73 148 149 66 0.945 7.79 3.6 84 86 78 91 219 6.3 1.220 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1192 Contamination 8.0177 1145.9 2.5 scans 93% TIC 0.22% 0.221% 184 1.1 366 447220 6103586 5751584 7-2 0.995 7.99 1.7 97 96 97 97 235 72.9 3.975 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1026 Cadaverine NC 8.1282 1152.4 2.3 scans 68% 174 m/z 2.5% 0.00940% 194 0.9 82 40271 259597 252726 4-0 9: 174 175 216 86 142 100 176 160 130 0.987 7.74 23.2 95 96 89 96 216 19.2 5.533 0.392 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1188 Contamination 8.3102 1163.2 2.3 scans 80% 281 m/z 2.1% 0.0194% 211 1.1 117 47114 537259 515873 1-1 15: 281 147 369 282 283 370 148 265 371 249 207 149 191 284 193 0.941 8.41 -6.2 97 95 75 99 369 33.4 8.176 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1186 Phosphate 8.5386 1176.7 2.1 scans 97% 241 m/z 0.11% 0.186% 233 1.1 387 900487 5157437 5157437 0-0 20: 241 242 133 211 163 73 243 256 195 135 98 59 89 119 147 137 134 121 164 181 1.000 8.56 -1.3 100 100 99 100 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1180 Benzoic acid 9.7044 1245.3 2.6 scans 59% 179 m/z 5.3% 0.00613% 344 1.2 62 18983 0.00757% 169471 150036 209068 1-2 7: 179 105 135 77 180 194 51 1.000 9.76 -3.2 95 94 88 96 194 10.7 2.932 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN VEN77_S6-N1002 Glycerol 10.0632 1266.2 5.3 scans 90% 299 m/z 0.012% 4.53% 378 0.3 1211 7758173 125131992 122278303 1-1 20: 299 314 207 283 315 211 193 191 135 225 284 189 208 298 181 137 195 269 121 194 0.949 10.09 -1.8 100 99 97 99 299 698.7 33.474 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LACTIC~1-N1034 Glycerol 10.0716 1266.7 2.5 scans 9.4% 147 m/z (299) 0.16% 0.306% 379 0.3 388 621882 8474112 7887295 2-1 18: 147 205 117 103 218 206 148 204 149 129 177 219 203 101 221 217 175 118 0.647 10.11 -2.3 86 95 59 94 293 28.6 0.546 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6861 1302.8 3.6 scans 67% TIC 1.2% 0.0744% 437 0.8 186 83552 2055169 1892066 1-1 0.749 10.73 -2.8 97 95 94 99 209 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1168 Glyceric acid 10.9660 1319.6 2.5 scans 69% 73 m/z 3.4% 0.0116% 464 1.0 91 28985 0.0143% 322839 303974 394937 4-0 17: 73 147 292 189 103 205 133 293 102 117 190 148 307 74 59 101 294 0.941 11.05 -5.3 89 87 84 93 292 26.7 8.628 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0249 1323.2 2.5 scans 43% 184 m/z 6.6% 0.00741% 469 0.9 69 15237 0.0109% 204759 204759 301036 0-0 12: 184 134 285 174 77 100 86 59 185 286 227 135 0.736 11.06 -2.3 88 88 74 92 285 21.1 9.349 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1162 Fumaric acid 11.2943 1339.4 2.2 scans 42% 245 m/z (71) 12% 0.00174% 495 1.0 37 8067 48106 48106 0-0 2: 245 246 0.927 11.39 -5.9 89 93 72 93 245 22.5 37.014 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3995 1345.7 2.9 scans 21% 57 m/z (121) 0.40% 0.112% 505 0.7 234 251778 0.118% 3101756 2823948 3258923 3-2 18: 57 97 115 145 127 129 69 59 111 109 128 72 87 98 201 114 113 96 0.607 11.45 -2.8 95 98 96 99 145 69.9 8.903 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1024 Contamination 10.96min 11.4216 1347.1 3.0 scans 93% 84 m/z 0.032% 0.990% 507 0.8 739 3141800 27351020 25851710 2-4 20: 84 133 162 161 119 92 118 85 82 51 65 130 78 134 117 63 77 91 52 120 0.994 10.96 28.1 97 97 96 98 161 191.8 6.736 0.466 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1146 Malic acid 13.4660 1473.4 2.5 scans 94% 73 m/z 0.17% 0.220% 701 1.0 379 567593 6086361 5924405 1-1 20: 73 147 233 245 133 189 190 148 75 74 191 149 101 175 55 335 234 59 217 117 0.997 13.62 -9.4 99 98 97 98 350 8.4 0.049 -0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1138 Pyroglutamic acid 13.9605 1504.7 2.9 scans 42% 156 m/z 5.1% 0.00407% 748 1.1 48 19512 112500 112500 0-0 4: 156 157 258 230 0.964 14.11 -10.0 90 91 81 91 273 0.0 0.000 -0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2772 1525.7 2.7 scans 56% 263 m/z 0.84% 0.0333% 778 0.9 141 119804 0.0338% 921685 898370 933488 0-1 16: 263 264 278 447 265 279 448 175 103 449 207 105 335 247 191 116 0.974 14.33 -3.3 83 76 83 96 278 33.8 5.715 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5708 1545.2 2.6 scans 51% 73 m/z 2.4% 0.0197% 806 1.0 108 40341 0.0200% 544489 452830 552360 3-2 20: 73 292 147 220 205 293 217 117 148 294 103 221 74 149 133 130 102 206 319 291 0.997 14.69 -8.0 89 89 87 90 409 0.0 0.000 -0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6750 1552.1 2.9 scans 90% TIC 0.53% 0.0508% 816 1.5 177 186981 0.205% 1405105 1352697 5661688 3-0 0.995 14.16 33.8 92 93 91 98 250 34.2 3.723 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1044 Dodecanol 14.7255 1555.5 3.4 scans 79% TIC 1.4% 0.0272% 821 1.1 129 68676 0.145% 752342 752342 4004609 0-0 0.997 14.24 32.1 93 96 92 97 243 65.7 25.949 0.483 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN A-AMYRIN-N1010 Contamination?? 16.1901 1655.1 3.6 scans 63% TIC 1.2% 0.0252% 960 1.0 116 77737 0.0663% 697415 697415 1831073 0-0 0.893 16.28 -6.0 95 93 86 98 392 15.2 1.734 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5426 1679.6 3.0 scans 74% TIC 1.9% 0.0205% 994 1.4 126 51655 0.0857% 567430 567430 2366862 0-0 0.985 16.63 -5.8 92 92 91 92 210 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1010 Glycerol-P 17.4780 1746.8 2.7 scans 96% 357 m/z 0.044% 1.92% 1083 0.7 1082 2274534 53107957 49526608 1-1 20: 357 299 73 358 315 147 300 370 445 211 359 103 101 301 133 256 129 387 218 328 1.000 16.97 37.3 96 99 99 99 445 170.5 2.486 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN TAB_REP6-N1048 Citric acid 18.2398 1802.5 2.7 scans 63% 273 m/z 2.1% 0.0256% 1155 1.0 127 46868 0.0266% 708640 634285 734639 0-1 17: 273 147 347 363 274 375 465 211 275 364 149 148 231 257 376 221 348 0.968 18.24 -0.3 95 94 89 97 465 18.0 2.014 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4282 1816.9 4.1 scans 95% TIC 0.031% 3.80% 1173 0.6 1241 3233442 104957469 99403158 1-2 0.994 17.91 38.7 96 99 98 100 327 116.4 0.881 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1012 Phytol 18.5639 1827.2 2.8 scans 97% 68 m/z 0.068% 1.70% 1186 0.6 992 1472505 1.86% 47066606 46182175 51369466 1-0 20: 68 95 82 57 123 69 55 81 67 83 97 71 96 109 124 111 79 56 70 85 1.000 18.04 39.1 94 98 99 99 278 56.5 0.324 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1016 Hexadecene 18.6260 1832.0 3.2 scans 88% TIC 0.38% 0.210% 1192 1.6 328 262592 5.30% 5816429 5816429 146375361 0-0 0.997 18.10 39.6 83 83 92 97 280 46.7 2.022 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN C14-N1006 C14:0 1TMS STD 18.6512 1833.9 2.6 scans 54% 285 m/z (70) 1.4% 0.0456% 1194 1.1 163 69442 0.786% 1261329 1175962 21707742 12-0 17: 285 117 75 132 129 145 286 131 118 201 287 300 61 116 130 76 241 0.948 18.73 -5.8 94 95 82 95 300 15.5 0.900 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1002 Phytol 18.8min 18.8564 1849.5 2.7 scans 94% 81 m/z 0.44% 0.278% 1214 1.1 406 226669 7694617 7349208 1-3 20: 81 82 68 95 57 123 55 69 67 83 71 79 96 97 124 109 110 53 111 278 0.998 18.84 1.2 98 97 99 98 278 45.2 1.238 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1072 Fructose 18.9459 1856.4 2.6 scans 85% 73 m/z 0.41% 0.115% 1222 1.0 274 245646 0.116% 3187883 3040247 3203687 5-1 20: 73 103 307 217 147 308 218 277 133 309 104 74 205 189 117 364 89 219 148 172 0.995 19.03 -6.6 95 94 95 94 364 25.8 0.886 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1016 1868.2 2.9 scans 95% TIC 0.23% 0.604% 1237 0.6 560 437142 16698872 16167333 1-1 0.997 18.58 39.8 93 96 98 99 278 75.3 1.812 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1064 Mannose 19.2678 1880.9 2.7 scans 89% TIC 0.31% 0.174% 1253 1.0 333 324096 0.206% 4812905 4573064 5689306 3-2 0.992 19.45 -14.3 97 96 96 96 319 117.7 12.518 -0.187 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4783 1897.0 2.8 scans 60% 174 m/z (73) 1.0% 0.0250% 1273 1.1 119 93985 692612 658555 1-2 7: 174 175 176 338 86 339 334 0.899 19.49 -0.8 80 80 80 85 338 20.3 2.908 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN BRA4_R~2-N1004 Galactose 19.5151 1899.8 3.8 scans 59% TIC 1.8% 0.0228% 1276 1.3 165 53601 0.166% 630157 630157 4584587 0-0 0.973 19.36 11.7 87 86 64 88 364 0.0 0.000 0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9212 1932.4 2.7 scans 70% 204 m/z 0.50% 0.0707% 1315 1.1 207 200077 1953842 1846863 3-1 11: 204 217 205 159 206 218 160 291 305 243 203 0.968 19.91 0.7 96 95 94 97 361 9.3 0.202 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7935 2002.6 2.9 scans 94% TIC 0.22% 0.624% 1398 0.9 591 440248 0.664% 17242657 16009622 18338347 1-7 0.999 20.27 42.4 83 83 94 98 322 39.4 0.443 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1038 C16:0 21.1618 2033.6 3.2 scans 97% 117 m/z 0.028% 3.29% 1433 0.4 1290 3581716 91076340 87654084 1-1 20: 117 313 73 75 132 129 145 314 55 131 328 133 118 57 69 201 74 315 116 269 1.000 20.62 45.3 94 99 99 100 328 147.2 1.303 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN INOSIT~1-N1024 myo-Inositol 21.6689 2076.2 2.8 scans 77% 305 m/z (79) 0.92% 0.0785% 1481 1.0 215 108937 2170232 2024332 3-1 18: 305 217 147 318 191 306 319 265 218 204 307 432 433 320 291 367 192 219 0.994 21.75 -6.7 93 94 93 94 507 13.9 0.417 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1856 2120.4 3.0 scans 8.5% 396 m/z 3.1% 0.0176% 1530 1.2 100 31655 0.0191% 488632 452571 527504 1-0 9: 396 219 397 381 398 220 382 249 293 0.106 22.19 -0.1 86 90 50 91 396 44.6 20.058 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2866 2129.2 2.9 scans 31% 327 m/z 2.8% 0.0243% 1540 0.9 114 35956 0.0330% 672270 582841 911394 7-7 7: 327 132 328 342 329 283 299 0.893 22.33 -3.8 92 92 70 92 342 15.9 1.943 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1040 Phytol 22.6264 2158.9 3.7 scans 90% TIC 0.063% 0.562% 1572 0.7 513 1583210 0.731% 15533802 15525450 20188753 0-1 0.986 22.08 47.4 81 84 90 98 181 15.4 0.090 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1967 2209.1 5.9 scans 87% TIC 0.039% 9.28% 1626 0.4 1492 2554338 10.3% 256351835 231403274 284465324 0-5 0.972 23.12 7.3 95 95 96 94 350 104.4 0.490 0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2262 2211.8 4.3 scans 73% 169 m/z (79) 0.082% 1.79% 1629 0.4 779 1223726 1.87% 49480502 45759844 51645646 6-3 18: 169 231 143 211 156 170 181 183 195 232 141 182 269 197 196 223 212 209 0.958 23.28 -5.0 86 86 70 92 450 33.4 0.184 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3546 2223.5 >4 scans 44% TIC 1.1% 0.0181% 1641 1.3 147 90348 0.499% 501484 501484 13781378 0-0 0.950 23.34 1.7 84 83 76 90 286 22.6 2.345 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1036 C18:0 23.4166 2229.2 2.8 scans 85% 341 m/z 0.10% 0.780% 1647 1.0 690 973126 21566785 20236419 2-2 19: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 201 343 74 116 297 0.964 22.89 47.4 93 99 95 99 356 88.7 1.653 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4366 2231.0 4.1 scans 28% 258 m/z (341) 1.2% 0.140% 1649 1.2 238 77587 3883667 3586946 1-2 15: 258 348 265 138 305 120 137 331 364 306 170 175 197 124 332 0.833 23.26 16.4 88 90 66 90 379 20.0 0.708 0.180 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7270 2257.6 2.8 scans 13% 163 m/z (95 195) 2.0% 0.0122% 1677 1.1 80 50104 0.0365% 338982 311418 1008057 1-0 5: 163 331 164 165 88 0.622 23.72 0.7 82 89 59 87 331 20.7 6.665 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1004 Prostaglandin 23.7765 2262.1 2.9 scans 91% 73 m/z 0.10% 0.855% 1681 0.9 703 941649 1.82% 23629241 22493176 50264747 5-0 20: 73 169 231 143 211 147 81 75 156 195 117 170 181 182 183 221 79 93 107 317 0.994 23.76 1.7 100 98 98 99 360 59.4 0.715 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1006 17-Methyltestosterone 23.8764 2271.2 3.6 scans 81% 73 m/z 0.13% 0.702% 1691 1.6 555 754383 1.34% 19400498 19190260 37008110 2-1 20: 73 143 360 293 345 117 407 147 75 265 69 144 169 130 361 346 257 318 294 333 0.929 23.88 -0.1 99 99 91 98 450 13.2 0.057 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1006 Androsterone 23.9091 2274.2 6.2 scans 54% 143 m/z 0.25% 0.201% 1694 1.2 336 395668 0.658% 5557202 5557202 18172639 0-0 20: 143 187 135 75 188 255 145 107 202 121 134 157 93 159 189 80 91 136 105 122 0.991 23.89 1.8 98 98 97 99 345 5.3 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1010 Epitestosterone 23.9775 2280.5 2.9 scans 82% 143 m/z 0.41% 0.163% 1700 1.0 310 241790 1.25% 4527712 4527712 34522491 0-0 20: 143 135 75 144 80 107 255 157 93 345 145 187 121 105 134 95 159 119 74 109 0.991 23.96 1.6 99 98 98 100 360 32.3 1.083 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0480 2286.9 3.1 scans 23% 143 m/z (67) 4.1% 0.0170% 1707 1.6 96 24384 1.51% 470369 470369 41703169 0-0 20: 143 293 409 294 265 115 424 286 147 201 144 410 285 230 292 334 319 130 216 299 0.850 24.04 1.0 81 85 66 86 424 12.0 1.543 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1024 Glycerolgalactose 24.1542 2296.6 3.4 scans 56% 204 m/z (143 143) 1.1% 0.0561% 1717 1.0 167 90153 0.102% 1550203 1545462 2817035 1-1 8: 204 217 337 206 338 218 219 339 0.949 24.18 -2.5 80 83 82 87 581 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1028 Glycerolgalactose 24.1542 2296.6 3.4 scans 26% 204 m/z 1.0% 0.0241% 1717 1.0 114 93369 0.0440% 665954 663918 1215192 1-1 8: 204 217 337 206 338 218 219 339 0.825 24.01 13.1 82 84 64 85 490 0.0 0.000 0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1889 2299.8 >4 scans 46% 143 m/z (204) 0.92% 0.0942% 1720 1.4 209 108646 1.63% 2603394 2603394 45017328 0-0 20: 143 156 155 168 181 144 360 55 67 157 95 182 81 183 109 255 195 170 69 234 0.972 24.18 1.0 81 82 84 86 450 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1012 Androsterone 24.23min 24.2500 2305.6 3.2 scans 85% 143 m/z 0.046% 0.514% 1726 1.1 564 2177151 1.15% 14213820 14213820 31760691 0-0 19: 143 73 144 75 156 145 81 69 95 155 109 272 74 115 219 170 93 362 67 0.993 24.23 1.8 99 98 99 100 362 38.3 0.461 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1014 Androsterone 24.3min 24.2921 2309.6 >4 scans 92% 143 m/z 0.049% 0.566% 1730 1.0 549 2042612 1.23% 15656376 15656376 33970131 0-0 20: 143 73 144 75 81 145 156 69 95 155 109 272 74 55 115 219 93 170 67 123 1.000 24.27 1.7 99 98 99 99 362 34.3 0.391 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1016 Androsterone 24.5min 24.5372 2332.9 3.2 scans 33% 143 m/z 1.0% 0.0322% 1754 1.0 127 98066 0.0382% 891705 802530 1055007 0-2 10: 143 300 144 180 284 179 374 301 98 228 0.885 24.52 1.9 91 92 83 94 362 3.2 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1018 myo-Inositol 25.2233 2398.1 3.0 scans 70% 318 m/z 0.45% 0.216% 1819 1.0 324 223145 0.221% 5980942 4880284 6103576 15-6 19: 318 315 299 147 387 319 316 389 320 217 300 191 317 388 301 432 433 343 246 0.978 25.21 1.3 97 95 96 99 470 22.8 0.494 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2864 2404.3 >5 scans 59% TIC 1.0% 0.102% 1825 1.4 214 92238 0.339% 2842553 2277155 9362499 0-3 0.957 25.28 0.6 94 94 91 94 464 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1022 Steroid 25.47min 2422 25.4842 2423.9 3.1 scans 52% 143 m/z 0.69% 0.133% 1844 1.0 260 145040 3697607 3222754 5-4 19: 143 182 169 195 196 374 183 170 144 265 81 375 269 109 137 184 123 284 179 0.856 25.47 1.7 95 95 95 99 374 39.3 2.295 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6315 2438.5 3.4 scans 48% 91 m/z 0.67% 0.0500% 1858 1.4 155 148697 0.0765% 1381131 1253077 2112776 6-2 19: 91 117 194 207 92 115 208 65 312 193 374 104 51 118 183 178 116 128 179 0.956 25.61 2.2 85 83 91 91 312 18.6 1.443 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1024 Steroid 26.19min 2494 26.2123 2496.0 3.3 scans 75% TIC 0.29% 0.179% 1913 0.6 307 342503 0.859% 4961390 4762760 23723856 0-1 0.971 26.19 1.9 97 96 97 99 347 15.2 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3102 2505.9 3.0 scans 44% 204 m/z 0.95% 0.0559% 1922 1.3 163 105503 0.580% 1546273 1140034 16018436 24-0 8: 204 217 205 219 206 218 305 186 0.949 25.86 45.2 83 85 83 98 361 3.3 0.000 0.454 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4028 2515.5 3.2 scans 88% 204 m/z 0.072% 0.599% 1931 0.7 561 1394799 0.638% 16555776 15626821 17620279 1-1 19: 204 73 205 147 495 206 117 363 496 273 130 74 103 129 191 231 143 319 259 0.991 26.35 5.5 92 91 96 91 495 80.5 2.059 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5690 2532.6 3.0 scans 42% 512 m/z (218) 1.3% 0.0545% 1947 0.9 172 72254 1507503 1492828 0-1 18: 512 455 247 513 456 483 514 248 263 349 457 484 497 423 235 249 353 409 0.978 26.57 -0.5 93 94 84 95 512 56.8 10.925 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1028 C16:0-glycerol 26.9426 2571.2 2.9 scans 94% 371 m/z 0.043% 1.25% 1982 0.9 856 2335014 34608237 33642250 1-2 20: 371 372 73 147 129 57 205 203 239 55 373 103 459 71 116 75 145 101 117 85 1.000 26.39 56.6 90 98 98 100 459 105.9 1.536 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1008 Sucrose 27.4297 2622.3 3.0 scans 59% 361 m/z 0.42% 0.151% 2028 1.1 287 239282 4177694 4036858 1-1 18: 361 217 362 147 437 363 103 271 451 218 438 169 319 243 439 364 219 452 0.894 27.59 -17.2 97 96 88 97 437 51.4 3.195 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN LQC1-N1010 Sucrose 27.4339 2622.7 3.8 scans 64% TIC 0.40% 0.199% 2029 1.6 316 249506 0.749% 5514387 5291764 20685876 1-0 0.868 27.58 -15.5 97 96 91 98 437 50.4 2.543 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6149 2642.0 3.4 scans 28% 99 m/z 0.86% 0.0653% 2046 1.1 199 117215 0.175% 1805974 1799882 4833149 0-1 16: 99 71 214 189 173 287 100 187 296 186 171 215 142 273 368 288 0.750 27.60 1.4 84 83 86 95 368 16.0 0.644 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1028 Heptacosane 28.0547 2689.0 3.1 scans 53% 57 m/z (333) 0.57% 0.126% 2088 1.0 235 176915 3500334 2804102 12-7 17: 57 71 85 55 56 97 70 83 113 127 84 141 98 380 58 126 112 0.957 28.04 2.2 86 86 94 94 380 15.8 0.453 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0558 2689.1 3.2 scans 60% TIC 0.56% 0.0834% 2088 1.0 251 178939 0.143% 2304530 2183029 3949373 0-1 0.944 28.06 -0.7 88 89 90 87 542 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3788 2724.8 3.4 scans 51% 99 m/z 0.49% 0.123% 2119 1.2 242 204656 0.242% 3402500 2756725 6683554 0-5 18: 99 71 189 173 283 171 103 385 184 273 100 185 287 187 288 286 199 196 0.970 28.41 -3.6 89 88 89 91 603 8.1 0.111 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1024 UNKnp_Ntb 28.55min 2744 28.5208 2740.8 3.4 scans 48% 99 m/z (73) 0.76% 0.0760% 2132 1.0 188 132385 0.510% 2100914 1979552 14085176 0-3 18: 99 85 57 71 100 255 269 241 283 242 173 397 341 356 185 86 243 342 0.961 28.55 -3.4 81 83 89 84 559 7.4 0.153 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6776 2758.4 3.0 scans 20% 99 m/z (189) 0.74% 0.0432% 2147 1.2 162 135981 0.106% 1194950 1194950 2927507 0-0 19: 99 71 173 283 171 100 385 185 184 187 286 288 287 273 355 284 196 170 199 0.779 28.69 -1.0 80 87 68 85 603 0.0 0.000 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1030 C18:0-2-glycerol 28.6871 2759.5 3.5 scans 71% 189 m/z 0.80% 0.168% 2148 1.2 307 125242 0.384% 4658187 4658187 10605309 0-0 18: 189 341 145 117 129 457 188 342 357 458 190 248 131 158 267 95 343 98 0.993 28.67 2.2 96 95 95 98 457 43.0 1.970 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1030 C18:0-1-glycerol 28.7407 2765.6 3.0 scans 91% TIC 0.074% 0.779% 2153 0.9 671 1352315 0.950% 21534527 21173799 26237093 0-1 0.999 28.19 61.7 88 97 97 99 487 83.4 1.543 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1032 Sterol 29.17min 2814 29.1869 2815.7 3.8 scans 72% 99 m/z (204) 0.17% 0.250% 2195 1.4 312 571518 0.256% 6908770 6017758 7070206 4-10 16: 99 71 81 100 269 283 256 356 98 169 185 355 257 196 241 341 0.993 29.17 2.0 96 96 98 99 355 26.3 0.710 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1034 Nonacosane 29.5225 2853.5 3.2 scans 71% 57 m/z 0.38% 0.158% 2227 1.2 292 263224 4387336 4009509 2-10 20: 57 71 85 55 99 56 69 365 83 113 70 127 111 366 141 84 98 393 364 58 0.994 29.50 2.0 97 95 99 100 408 8.9 0.093 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1036 Nonacosane 29.82min 29.8466 2889.9 3.1 scans 75% 57 m/z 0.26% 0.208% 2258 1.1 336 374888 5755838 4971117 6-6 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 98 141 58 72 86 112 0.997 29.83 2.2 98 96 99 100 408 21.2 0.399 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1038 Hexacosanol 30.1928 2930.5 3.1 scans 61% 439 m/z 0.42% 0.100% 2291 1.1 231 238873 0.101% 2762317 2679544 2789417 1-3 7: 439 440 103 441 89 61 442 0.982 30.17 2.4 100 100 98 100 439 122.6 28.051 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1042 C20:0-2-glycerol 30.4022 2955.4 3.2 scans 33% 189 m/z (204 193) 1.1% 0.107% 2311 1.5 225 85379 0.110% 2976698 2892244 3037979 0-4 13: 189 369 129 117 145 485 188 370 385 486 190 295 386 0.917 30.38 2.5 89 92 84 98 485 41.4 3.404 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4811 2964.7 3.8 scans 83% TIC 0.19% 0.299% 2318 1.1 405 517557 0.627% 8268015 7979724 17316481 0-1 0.998 30.46 2.1 99 97 99 100 393 89.7 4.890 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2292 3053.6 3.3 scans 85% 57 m/z 0.11% 0.586% 2390 0.8 545 904470 16204908 15834958 1-1 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 421 394 155 392 0.996 31.21 2.1 100 99 100 100 393 80.7 2.192 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1048 Hentriacontane 31.5491 3091.6 3.4 scans 92% 57 m/z 0.038% 1.77% 2420 0.6 940 2590154 48980895 47193466 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 125 1.000 31.53 2.1 100 99 100 100 436 53.8 0.328 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6974 3109.2 3.4 scans 14% 204 m/z 2.2% 0.0136% 2434 0.7 93 44088 0.0193% 377591 270004 533027 4-1 10: 204 205 217 337 598 597 218 103 129 206 0.858 31.68 2.6 85 87 74 86 597 12.8 1.884 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8331 3125.3 3.0 scans 72% 502 m/z (467) 0.15% 0.335% 2447 0.8 430 660478 9267478 8879964 1-1 16: 502 237 503 73 236 238 504 277 221 223 208 239 505 74 262 193 0.987 31.79 4.9 98 99 97 99 502 203.9 22.485 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1020 Cholesterol 31.9594 3140.3 3.5 scans 73% 329 m/z 0.54% 0.373% 2459 1.0 428 186372 10328766 9524905 1-2 15: 329 129 368 458 353 95 330 107 328 121 369 119 145 105 159 0.996 31.87 10.9 95 93 94 98 458 61.6 2.067 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1278 3160.3 3.2 scans 75% 57 m/z 0.15% 0.384% 2475 0.8 454 650812 0.469% 10620657 9884625 12952839 2-5 20: 57 71 85 56 421 55 69 83 99 97 70 113 420 422 111 127 84 141 155 58 0.994 32.11 2.1 99 98 99 100 421 100.5 4.896 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1004 Campesterol 32.8001 3240.2 3.8 scans 53% 129 m/z 0.35% 0.508% 2539 0.7 488 285619 0.722% 14055103 13614639 19940191 0-1 19: 129 343 382 367 472 95 107 344 75 121 383 342 119 145 105 81 159 91 93 0.905 32.21 70.1 83 95 83 96 472 75.0 2.363 0.590 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1046 Stigmasterol 33.0022 3264.2 3.7 scans 81% 83 m/z (204) 0.12% 1.83% 2558 0.6 889 825479 50756321 46033737 5-1 20: 83 129 55 255 394 484 69 81 75 133 159 119 105 145 107 351 355 93 95 97 0.955 32.98 2.4 97 97 99 100 665 54.8 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1158 3277.6 3.1 scans 76% 57 m/z 0.080% 0.783% 2569 0.8 656 1256259 0.827% 21625954 20314639 22840080 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 72 0.984 33.10 2.2 95 93 98 99 515 24.6 0.140 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3599 3306.6 3.7 scans 37% 217 m/z (471) 0.79% 0.204% 2592 0.9 302 127142 0.305% 5645748 5362725 8423488 0-2 20: 217 189 437 361 99 199 529 73 438 71 530 287 173 362 218 439 451 200 190 363 0.964 33.38 -2.3 94 96 91 96 529 54.8 3.284 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN WTF2-N1034 b-Sitosterol 33.4956 3322.8 3.6 scans 74% TIC 0.21% 0.829% 2605 1.0 677 464804 1.56% 22922852 21882521 43084068 2-1 0.977 32.88 73.5 84 96 96 99 486 94.2 1.940 0.619 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN BMN_RE~1-N1060 UNKnp_Disaccharide/Steroid bound compound 33.57min 33.5914 3334.1 3.4 scans 15% 505 m/z (99) 3.1% 0.0760% 2614 1.3 188 31698 0.169% 2099439 2078511 4667441 3-0 10: 505 491 506 492 223 507 493 272 289 508 0.882 33.57 2.3 82 84 72 93 505 40.7 4.679 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1054 Steroid 33.58min 3333 33.6082 3336.1 3.5 scans 47% 386 m/z (505) 0.89% 0.295% 2616 0.9 368 112214 0.320% 8155829 7695157 8837758 1-13 6: 386 296 281 387 371 213 0.988 33.58 2.8 94 95 97 98 505 5.2 0.000 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9049 3371.4 3.5 scans 4.0% 441 m/z (99) 2.2% 0.0122% 2644 0.9 75 43915 338451 314693 6-1 9: 441 442 646 308 509 443 647 510 384 0.772 33.80 13.0 84 86 57 93 646 15.6 4.407 0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2385 3411.0 3.9 scans 60% 99 m/z 0.18% 0.462% 2675 0.9 438 535099 12775975 10938913 2-10 16: 99 217 499 71 361 169 500 218 362 100 383 230 319 451 257 271 0.987 34.22 2.3 98 97 98 100 499 110.3 6.350 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4542 3436.6 3.9 scans 53% 73 m/z (421) 0.48% 0.406% 2696 1.2 396 207197 0.840% 11232736 10239717 23199114 1-0 20: 73 361 169 103 217 289 362 117 147 129 75 183 242 363 259 218 185 224 74 155 0.968 34.59 -16.0 95 96 92 98 596 0.0 0.000 -0.135 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4542 3436.6 3.9 scans 56% 73 m/z 0.51% 0.296% 2696 1.2 408 196808 0.612% 8185974 7462301 16902211 1-0 20: 73 361 169 103 217 289 362 117 147 129 75 183 242 363 259 218 185 224 74 155 0.874 34.44 2.2 98 97 97 100 543 38.9 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5983 3453.7 4.0 scans 24% 596 m/z 0.53% 0.0938% 2710 0.9 199 186988 2591503 2466004 1-1 11: 596 597 598 316 599 302 318 315 356 303 600 0.908 34.47 15.0 97 96 89 99 596 108.5 29.799 0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN EXBLK5S-N1006 Contamination 6.3743 1048.4 2.2 scans 72% 207 m/z 0.63% 0.0373% 27 1.5 172 162881 0.0523% 1024834 1024834 1433496 0-0 16: 207 73 295 208 209 296 191 297 279 74 193 189 210 192 298 177 0.956 6.63 -14.9 97 96 90 97 295 52.8 9.437 -0.251 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9042 1139.1 3.5 scans 30% 147 m/z 6.9% 0.00212% 173 1.2 48 14961 0.107% 58207 58207 2932773 0-0 4: 147 73 148 74 0.799 7.79 6.5 84 88 78 89 219 0.0 0.000 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1192 Contamination 8.0620 1148.5 2.6 scans 96% TIC 0.16% 0.323% 188 0.7 421 608097 8869458 8374628 5-1 0.999 7.99 4.3 97 96 97 97 235 84.8 4.069 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1026 Cadaverine NC 8.1346 1152.8 2.4 scans 58% 174 m/z 2.3% 0.0100% 195 1.0 80 43275 0.0387% 275684 273787 1060732 1-0 9: 174 175 216 86 100 176 160 130 217 0.983 7.74 23.6 93 94 88 96 216 19.3 5.804 0.399 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1188 Contamination 8.3166 1163.6 2.2 scans 80% 281 m/z 1.5% 0.0262% 212 1.0 139 68551 720782 720782 0-0 18: 281 147 369 282 283 370 152 207 265 249 148 371 149 167 191 86 267 266 0.977 8.41 -5.8 96 94 74 99 369 38.5 7.612 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1186 Phosphate 8.5807 1179.2 2.1 scans 97% 241 m/z 0.072% 0.301% 237 1.2 473 1425346 8267245 8261724 0-1 19: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 147 137 134 121 212 1.000 8.56 1.2 100 99 99 100 299 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1180 Benzoic acid 9.7276 1246.6 3.3 scans 43% 179 m/z 7.9% 0.00520% 346 0.6 47 13028 142759 142759 1-0 4: 179 105 135 180 0.952 9.76 -1.9 95 96 88 96 194 5.9 1.581 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN VEN77_S6-N1002 Glycerol 10.0833 1267.4 5.1 scans 94% 301 m/z 0.013% 4.60% 380 0.3 1203 7653126 126335324 122689139 1-1 20: 301 315 316 302 208 212 317 213 255 190 286 153 318 180 271 76 139 304 138 88 0.999 10.09 -0.6 98 97 92 99 299 677.1 31.852 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7062 1304.0 3.2 scans 73% 199 m/z 1.4% 0.0574% 439 0.7 166 73452 1573617 1533341 5-1 19: 199 75 117 73 145 132 129 200 131 118 74 76 61 201 81 119 72 155 96 0.950 10.73 -1.6 96 95 91 99 209 0.0 0.000 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1168 Glyceric acid 10.9787 1320.4 2.7 scans 67% 73 m/z 3.5% 0.0128% 465 1.1 88 28762 0.0153% 351250 309987 419359 5-1 18: 73 147 189 292 103 205 133 148 102 215 293 190 117 307 74 149 59 101 0.978 11.05 -4.5 89 88 86 94 292 26.8 9.351 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0397 1324.1 2.8 scans 60% 184 m/z 4.5% 0.0110% 471 1.0 79 22539 0.0146% 302504 290075 400173 1-1 14: 184 134 285 174 86 77 100 59 227 185 172 186 135 110 0.967 11.06 -1.4 92 93 85 92 285 24.9 10.019 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4038 1346.0 4.4 scans 57% 57 m/z (84) 0.59% 0.115% 505 0.9 193 174360 3153766 2904561 4-4 17: 57 97 115 145 127 69 111 109 59 128 72 98 201 87 113 95 110 0.978 11.45 -2.5 96 98 97 99 145 56.6 8.643 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1024 Contamination 10.96min 11.4416 1348.3 3.1 scans 96% TIC 0.032% 1.12% 509 0.6 726 3166349 30956017 27417610 3-4 0.997 10.96 29.3 96 97 96 98 161 190.6 6.886 0.486 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN TAB_REP6-N1026 Malic acid 13.4745 1473.9 2.5 scans 95% TIC 0.14% 0.266% 702 1.0 413 701157 7298249 6988867 1-1 0.998 13.53 -3.7 100 99 98 99 335 50.9 1.515 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1146 Malic acid 13.4745 1473.9 2.5 scans 95% 73 m/z 0.14% 0.263% 702 1.1 412 696466 7232796 6876282 1-1 20: 73 147 233 245 133 189 190 148 75 74 175 191 149 335 234 101 55 217 59 117 0.999 13.62 -8.9 99 98 98 98 350 8.7 0.044 -0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1138 Pyroglutamic acid 13.9701 1505.4 2.8 scans 30% 156 m/z 4.8% 0.00452% 749 1.1 50 21278 124047 124047 0-0 4: 156 157 230 258 0.818 14.11 -9.3 87 87 79 91 273 0.0 0.000 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5782 1545.7 2.6 scans 65% 73 m/z (71) 2.1% 0.0232% 807 1.0 115 48071 638565 562313 5-1 20: 73 292 147 220 205 293 217 103 148 221 74 294 149 133 206 319 130 102 218 59 0.955 14.62 -2.9 86 87 86 89 409 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5782 1545.7 2.6 scans 66% 73 m/z 2.1% 0.0219% 807 1.0 115 48617 602624 530664 5-1 20: 73 292 147 220 205 293 217 103 148 221 74 294 149 133 206 319 130 102 218 59 0.992 14.69 -7.5 88 87 86 89 409 0.0 0.000 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6803 1552.5 2.8 scans 82% 174 m/z 0.77% 0.0369% 817 1.1 142 134113 0.0417% 1012145 1012145 1142959 0-0 18: 174 73 175 86 176 250 59 100 91 130 177 162 74 121 149 131 101 252 0.993 14.16 34.2 92 94 90 97 250 28.1 3.902 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1044 Dodecanol 14.7340 1556.0 2.7 scans 79% 243 m/z 0.99% 0.0334% 822 1.0 141 103406 0.0351% 915766 867538 962059 1-6 15: 243 75 244 103 89 97 83 245 69 101 61 76 111 59 115 0.993 14.24 32.6 94 96 94 98 243 78.7 31.190 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN A-AMYRIN-N1010 Contamination?? 16.1965 1655.5 3.4 scans 63% TIC 1.2% 0.0246% 961 0.9 118 82679 0.0683% 676713 676713 1872041 0-0 0.897 16.28 -5.6 94 92 86 98 392 15.1 1.628 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5469 1679.9 2.8 scans 84% 55 m/z 0.85% 0.0777% 994 1.2 193 121556 0.0840% 2130155 1691513 2302364 8-5 18: 55 83 69 56 97 70 84 111 82 127 113 68 98 67 96 125 140 54 0.987 16.63 -5.5 96 95 95 95 210 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1010 Glycerol-P 17.4802 1746.9 2.6 scans 98% 357 m/z 0.043% 1.89% 1083 0.7 1078 2354242 52019010 51578351 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 129 387 256 218 328 1.000 16.97 37.4 96 99 99 99 445 170.6 2.506 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5560 1752.5 2.6 scans 57% 217 m/z 1.6% 0.0216% 1090 0.9 119 60881 0.162% 592661 591332 4440274 1-0 12: 217 218 219 450 232 191 451 305 148 257 169 149 0.987 17.63 -5.5 83 82 75 84 450 16.5 1.929 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN TAB_REP6-N1048 Citric acid 18.2430 1802.7 2.6 scans 63% 273 m/z 1.9% 0.0287% 1155 1.2 130 54024 787680 785245 1-0 15: 273 363 274 347 375 465 275 211 364 376 257 466 348 221 183 0.963 18.24 -0.1 96 96 91 97 465 19.3 2.187 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4345 1817.4 4.1 scans 88% 73 m/z 0.030% 3.86% 1174 0.5 1198 3440502 105836628 102793941 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 213 133 90 77 121 75 0.936 17.91 39.2 94 99 93 98 327 118.4 0.979 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1012 Phytol 18.5661 1827.4 3.2 scans 98% 68 m/z 0.081% 1.63% 1186 0.6 901 1275746 1.77% 44760373 44422705 48514103 1-0 20: 68 95 82 57 69 123 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.3 94 98 99 99 278 52.7 0.343 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1016 Hexadecene 18.6292 1832.2 3.1 scans 88% TIC 0.37% 0.223% 1192 1.5 329 279271 5.59% 6120694 5797986 153216856 0-1 0.995 18.10 39.8 83 83 93 97 280 47.7 2.095 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN C14-N1006 C14:0 1TMS STD 18.6555 1834.2 2.8 scans 68% 285 m/z (70) 1.5% 0.0451% 1195 1.0 157 66753 0.895% 1237929 1227201 24531142 2-0 17: 285 117 75 132 129 145 286 131 118 287 116 300 76 241 61 257 130 0.967 18.73 -5.5 94 95 86 96 300 14.4 0.843 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1076 Pregnane?? 18.7765 1843.4 2.7 scans 61% 345 m/z 2.3% 0.0232% 1206 0.9 120 44287 636515 607071 1-1 11: 345 346 255 147 347 334 256 435 419 239 257 0.880 18.86 -6.3 81 80 67 81 537 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1002 Phytol 18.8min 18.8596 1849.8 2.6 scans 93% 81 m/z 0.44% 0.265% 1214 1.1 402 233567 7277000 6932513 1-3 20: 81 82 95 68 57 123 69 55 83 67 79 71 96 97 124 109 53 111 56 278 0.997 18.84 1.5 98 97 99 98 278 45.8 1.300 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1072 Fructose 18.9491 1856.6 2.8 scans 85% 73 m/z 0.51% 0.108% 1222 1.0 243 200512 0.110% 2966037 2857325 3015001 4-1 20: 73 103 307 217 147 308 277 218 133 74 205 104 309 364 189 117 219 89 148 172 0.994 19.03 -6.4 94 94 94 94 364 23.9 0.965 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1070 Fructose 19.0690 1865.8 2.9 scans 66% 73 m/z (81) 0.62% 0.0978% 1234 1.3 220 166153 2683269 2316141 2-4 20: 73 103 307 217 147 308 277 218 309 104 74 205 364 89 262 189 117 133 148 219 0.946 19.19 -9.5 89 90 92 90 554 10.1 0.212 -0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1064 Mannose 19.2710 1881.2 2.9 scans 85% TIC 0.40% 0.132% 1253 0.9 284 255964 0.719% 3639318 3633726 19707141 0-1 0.983 19.45 -14.0 96 95 94 95 319 101.9 12.846 -0.184 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4815 1897.2 2.7 scans 48% 174 m/z 0.86% 0.0224% 1273 1.1 114 119387 614077 587994 1-1 7: 174 175 338 176 86 334 339 0.828 19.49 -0.6 82 83 64 87 338 24.3 4.559 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN BRA4_R~2-N1004 Galactose 19.5173 1899.9 2.9 scans 37% 319 m/z 3.3% 0.0256% 1277 1.1 110 30704 701837 631953 3-5 5: 319 160 103 321 229 0.718 19.36 11.8 89 90 58 90 364 0.0 0.000 0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9245 1932.7 3.4 scans 81% TIC 0.37% 0.172% 1315 1.3 251 275915 0.238% 4734089 4190564 6523365 1-1 0.962 19.91 1.0 96 95 94 98 361 11.5 0.210 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7978 2003.0 3.0 scans 94% TIC 0.21% 0.655% 1398 1.0 602 476002 0.739% 17957667 17860852 20255323 0-3 0.999 20.27 42.8 82 82 94 98 322 41.2 0.467 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1038 C16:0 21.1650 2033.9 3.6 scans 97% 313 m/z 0.028% 3.56% 1433 0.5 1260 3645239 97747455 97747455 0-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 118 57 69 201 315 74 269 116 1.000 20.62 45.6 94 99 99 100 328 145.6 1.337 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN INOSIT~1-N1024 myo-Inositol 21.6722 2076.5 2.7 scans 58% 305 m/z 1.1% 0.0615% 1481 1.1 189 87508 1686164 1676101 3-0 19: 305 217 147 318 191 306 265 319 204 218 307 432 320 433 367 192 291 219 148 0.929 21.75 -6.4 95 95 81 95 507 13.7 0.525 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9710 2101.7 3.1 scans 38% 327 m/z (143) 1.5% 0.0509% 1510 1.2 157 68502 0.0555% 1396169 1366424 1521205 0-4 13: 327 117 132 145 129 328 342 329 201 313 283 343 299 0.859 22.33 -31.3 90 96 76 96 342 22.5 2.062 -0.359 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1909 2120.9 3.3 scans 5.1% 396 m/z (143) 3.5% 0.0155% 1531 1.4 85 29519 0.0169% 426885 426885 463214 0-0 8: 396 219 397 381 398 220 382 249 0.587 22.19 0.4 83 87 46 91 396 42.0 24.616 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1040 Phytol 22.6286 2159.1 3.7 scans 90% TIC 0.064% 0.565% 1572 0.9 503 1599802 0.764% 15511556 15257691 20940551 0-1 0.993 22.08 47.6 81 83 90 98 181 13.8 0.075 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1947 2208.9 5.2 scans 67% 339 m/z (169) 0.057% 3.48% 1626 0.9 1263 1810775 6.73% 95551475 94576841 184463228 1-0 8: 339 340 264 180 355 327 328 310 0.992 23.12 7.1 95 96 97 96 350 89.2 0.498 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2262 2211.8 5.8 scans 67% 169 m/z (79) 0.097% 1.95% 1629 0.5 724 1063239 2.05% 53452973 49284953 56188650 4-3 20: 169 339 231 143 211 156 170 181 183 195 141 182 196 223 209 345 435 198 233 237 0.968 23.28 -5.0 81 79 66 92 450 30.1 0.173 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1036 C18:0 23.4230 2229.8 2.9 scans 85% TIC 0.11% 0.916% 1648 1.1 661 935433 0.938% 25122165 21850097 25709734 1-7 0.962 22.89 48.0 92 99 95 99 356 84.8 1.648 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4409 2231.4 4.1 scans 19% 258 m/z (341) 1.3% 0.134% 1649 1.1 228 75365 3675728 3626040 0-1 19: 258 348 265 349 259 305 138 274 120 379 137 293 164 266 364 331 291 306 152 0.815 23.26 16.8 87 90 63 90 379 20.0 0.770 0.184 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1004 Prostaglandin 23.7808 2262.5 2.8 scans 90% 73 m/z 0.11% 0.869% 1682 0.8 679 915125 1.85% 23844284 22080077 50706831 6-1 20: 73 169 231 143 211 147 81 156 75 195 117 182 170 221 181 183 79 107 93 317 0.996 23.76 2.1 100 99 98 99 360 58.0 0.729 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1006 17-Methyltestosterone 23.8818 2271.7 3.3 scans 86% 73 m/z (187) 0.13% 0.828% 1691 1.6 584 772007 1.49% 22701972 22677899 40839556 2-1 19: 73 143 293 345 360 117 407 265 147 69 169 130 346 318 361 257 144 294 333 1.000 23.88 0.4 98 99 99 99 450 13.5 0.053 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1006 Androsterone 23.9081 2274.1 >3 scans 66% 143 m/z 0.18% 0.233% 1694 2.5 378 550244 0.978% 6391183 6391183 26806098 0-0 20: 143 75 144 107 145 93 156 105 133 120 270 79 146 67 171 201 106 131 108 127 0.998 23.89 1.7 97 95 92 99 345 5.6 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1010 Epitestosterone 23.9828 2281.0 2.9 scans 78% 143 m/z 0.39% 0.166% 1701 0.9 314 259245 1.53% 4557439 4255166 41935920 0-1 20: 143 73 135 75 144 80 93 107 255 270 157 345 81 145 121 187 95 159 119 169 0.997 23.96 2.1 98 97 98 100 360 34.3 1.187 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1010 Pregna-5,7-dien-3-ol, 20-(3-butynyl)- 24.0501 2287.1 3.0 scans 16% 143 m/z 4.3% 0.00909% 1707 1.7 79 23773 0.903% 249260 244621 24750415 1-0 16: 143 293 409 294 265 424 334 286 115 147 299 285 410 292 130 202 0.826 24.04 1.2 80 82 50 82 424 12.4 2.447 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1028 Glycerolgalactose 24.1596 2297.1 3.3 scans 23% 204 m/z (333) 0.89% 0.0335% 1718 0.9 124 115764 0.0485% 919783 904090 1329341 1-3 8: 204 217 337 103 338 218 339 361 0.984 24.01 13.6 82 84 68 85 490 0.0 0.000 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1024 Glycerolgalactose 24.1596 2297.1 3.3 scans 31% 204 m/z (143 333) 0.90% 0.0457% 1718 0.9 145 113805 0.0662% 1254438 1233036 1814482 1-3 8: 204 217 337 103 338 218 339 361 0.925 24.18 -2.0 84 89 81 89 581 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1012 Androsterone 24.23min 24.2553 2306.1 6.7 scans 85% 143 m/z 0.046% 0.596% 1727 1.2 558 2240396 1.25% 16350669 16350669 34261372 0-0 20: 143 73 144 75 156 145 81 69 95 109 155 272 74 115 93 362 170 130 55 219 0.995 24.23 2.3 99 98 99 99 362 38.7 0.482 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1014 Androsterone 24.3min 24.2963 2310.0 >3 scans 92% 143 m/z 0.049% 0.546% 1731 1.3 543 2069290 1.34% 14985398 14668513 36728191 0-1 20: 143 73 144 75 156 81 145 69 95 109 155 272 74 115 219 55 170 93 67 362 1.000 24.27 2.1 100 98 99 99 362 34.7 0.409 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1016 Androsterone 24.5min 24.5415 2333.3 2.9 scans 33% 143 m/z 0.95% 0.0317% 1754 1.3 130 108716 0.0522% 869722 814351 1430755 0-3 10: 143 144 300 180 284 315 179 374 301 285 0.839 24.52 2.3 90 91 82 95 362 8.5 0.431 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1018 myo-Inositol 25.2265 2398.4 3.5 scans 75% TIC 0.53% 0.189% 1819 1.0 302 192548 0.464% 5190587 5184363 12717821 1-0 0.987 25.21 1.6 97 96 95 99 470 20.6 0.467 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2886 2404.5 >5 scans 56% TIC 1.1% 0.0964% 1825 1.4 196 86901 0.300% 2644548 2129780 8222729 0-2 0.942 25.28 0.8 93 93 88 94 464 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1022 Steroid 25.47min 2422 25.4885 2424.3 3.0 scans 54% 143 m/z 0.68% 0.119% 1844 1.0 247 151753 3283342 2988934 5-1 17: 143 182 169 195 374 196 183 170 265 144 375 269 109 184 284 179 197 0.746 25.47 2.1 94 94 93 99 374 38.6 2.440 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6358 2438.9 3.3 scans 53% 91 m/z 0.61% 0.0562% 1858 1.4 162 168467 0.0777% 1541019 1457229 2129687 4-2 18: 91 117 194 207 92 65 115 208 193 312 104 118 374 249 51 178 102 128 0.970 25.61 2.6 88 85 92 93 312 18.6 1.317 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1024 Steroid 26.19min 2494 26.2145 2496.2 3.2 scans 76% TIC 0.28% 0.183% 1913 0.7 309 368578 0.922% 5033964 4757754 25271188 1-2 0.977 26.19 2.1 96 95 97 99 347 15.5 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3144 2506.3 3.2 scans 49% 204 m/z 0.77% 0.0565% 1922 1.3 169 133200 0.615% 1549888 1464966 16856595 4-0 12: 204 217 205 147 219 206 218 305 220 291 319 232 0.947 25.86 45.6 86 90 89 97 361 3.4 0.000 0.458 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.4049 2515.7 3.4 scans 90% 204 m/z 0.066% 0.719% 1931 0.8 580 1560480 0.776% 19708750 18862578 21269460 2-1 19: 204 73 205 147 206 117 363 496 130 74 103 191 231 131 319 497 143 259 189 0.990 26.35 5.7 93 92 96 92 495 82.2 2.011 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5712 2532.9 3.0 scans 45% 512 m/z (218) 1.4% 0.0566% 1947 1.0 171 70321 1552647 1507378 1-1 19: 512 455 247 513 456 483 514 248 263 349 457 484 497 249 423 235 409 515 234 0.976 26.57 -0.2 93 94 84 95 512 58.5 11.625 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1028 C16:0-glycerol 26.9479 2571.8 3.1 scans 95% 371 m/z 0.043% 1.36% 1983 0.7 837 2386147 37397756 37382262 0-1 20: 371 372 73 147 129 57 205 203 239 103 373 459 55 71 116 145 75 101 117 133 1.000 26.39 57.2 90 98 98 100 459 105.7 1.597 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1010 Sucrose 27.4329 2622.6 3.0 scans 60% 361 m/z (397) 0.47% 0.150% 2029 1.0 278 218179 4135309 4113356 0-1 19: 361 217 362 437 147 363 103 271 438 451 218 169 319 243 439 364 219 452 331 0.971 27.58 -15.6 93 94 92 95 437 47.4 2.908 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN LQC1-N1008 Sucrose 27.4329 2622.6 3.0 scans 54% 361 m/z 0.47% 0.130% 2029 1.0 264 218179 3584038 3565011 0-1 19: 361 217 362 437 147 363 103 271 438 451 218 169 319 243 439 364 219 452 331 0.905 27.59 -16.9 97 96 88 97 437 47.4 3.222 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6171 2642.3 3.8 scans 18% 99 m/z 1.4% 0.0406% 2046 1.1 149 73785 0.126% 1114878 1114878 3453546 0-0 16: 99 71 214 189 173 287 100 368 544 240 215 227 142 228 158 198 0.672 27.60 1.7 83 87 79 93 368 13.8 0.852 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1028 Heptacosane 28.0569 2689.2 3.3 scans 55% 57 m/z (333) 0.62% 0.134% 2088 1.3 227 165726 3694069 2886920 12-8 18: 57 71 85 55 99 97 56 83 70 113 127 84 98 141 86 140 112 380 0.963 28.04 2.4 84 83 93 95 380 15.6 0.471 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0590 2689.4 3.5 scans 57% TIC 0.66% 0.0759% 2088 1.2 231 154625 0.133% 2082166 1977824 3645410 1-1 0.921 28.06 -0.4 89 90 89 89 542 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3820 2725.2 3.6 scans 41% 99 m/z 0.67% 0.0891% 2119 1.4 192 153832 0.164% 2444369 2000294 4495092 0-4 19: 99 71 189 173 283 171 385 184 187 273 287 185 100 199 288 386 286 196 285 0.935 28.41 -3.2 84 84 80 87 603 5.5 0.083 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1030 C18:0-2-glycerol 28.6893 2759.8 >3 scans 66% 189 m/z 1.1% 0.133% 2148 1.1 273 93135 0.437% 3660345 3471890 11977776 1-0 19: 189 341 117 145 129 188 457 103 357 342 75 55 458 158 131 190 57 248 267 0.988 28.67 2.5 98 97 95 99 457 39.7 2.114 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1030 C18:0-1-glycerol 28.7450 2766.0 3.4 scans 89% TIC 0.075% 0.855% 2153 0.9 640 1361208 0.983% 23453794 22170996 26943143 0-1 0.998 28.19 62.1 88 97 97 99 487 82.1 1.648 0.552 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1032 Sterol 29.17min 2814 29.1943 2816.6 4.0 scans 69% 99 m/z (204) 0.21% 0.214% 2196 1.2 277 489144 0.219% 5882661 5099551 6002592 4-10 16: 99 71 81 100 283 269 256 356 257 355 185 98 169 196 255 72 0.985 29.17 2.9 95 96 97 99 355 23.7 0.731 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1034 Nonacosane 29.5279 2854.1 3.2 scans 71% 57 m/z 0.39% 0.156% 2228 1.1 283 261082 4280598 3949326 2-10 20: 57 71 85 55 99 56 365 69 83 70 113 127 393 111 366 84 141 364 98 58 0.993 29.50 2.6 97 95 98 99 408 9.7 0.116 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1036 Nonacosane 29.82min 29.8519 2890.5 3.6 scans 75% 57 m/z 0.31% 0.207% 2259 1.1 306 325274 5688682 5154346 6-4 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 141 111 98 112 86 155 82 0.994 29.83 2.8 99 97 100 100 408 19.1 0.388 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1038 Hexacosanol 30.1971 2931.0 3.5 scans 60% 439 m/z 0.46% 0.107% 2291 1.1 215 222276 2946049 2613897 6-3 8: 439 440 103 441 89 61 442 423 0.989 30.17 2.9 100 100 98 100 439 115.4 28.889 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1042 C20:0-2-glycerol 30.4075 2956.0 3.7 scans 29% 189 m/z (204 73) 1.6% 0.0998% 2311 1.5 194 61676 0.102% 2736344 2478133 2795728 1-5 14: 189 369 145 485 188 370 385 190 386 371 277 87 227 410 0.864 30.38 3.1 87 90 78 96 485 34.9 3.248 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4854 2965.2 3.9 scans 85% TIC 0.19% 0.334% 2319 1.2 405 528468 0.679% 9161700 8855605 18610777 0-1 0.998 30.46 2.6 99 97 99 100 393 91.0 5.063 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2335 3054.1 3.4 scans 85% 57 m/z 0.11% 0.576% 2390 0.8 525 869518 0.613% 15808968 15191072 16801777 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 394 421 98 0.995 31.21 2.6 100 99 100 100 393 79.9 2.320 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1048 Hentriacontane 31.5565 3092.5 3.5 scans 93% 57 m/z 0.042% 1.80% 2421 0.5 890 2406942 49520213 48468401 1-0 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 126 1.000 31.53 3.0 100 99 100 100 436 52.9 0.353 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7006 3109.6 3.7 scans 19% 204 m/z 1.9% 0.0140% 2434 1.1 104 53208 0.0336% 384637 384637 920946 0-0 10: 204 205 597 217 598 337 206 191 103 361 0.888 31.68 3.0 86 87 79 86 597 14.9 2.051 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8364 3125.7 3.1 scans 73% 502 m/z 0.17% 0.314% 2447 0.8 404 593300 8616999 8579635 0-1 16: 502 237 503 73 236 504 238 277 221 208 223 505 74 239 262 193 0.984 31.79 5.3 94 91 91 99 502 188.5 21.796 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1020 Cholesterol 31.9626 3140.7 3.6 scans 73% 329 m/z 0.57% 0.379% 2459 1.2 406 178870 10399071 9957282 1-3 16: 329 129 368 353 458 95 107 330 121 119 105 328 369 145 93 247 0.992 31.87 11.3 95 93 94 98 458 59.5 2.146 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1320 3160.8 3.4 scans 75% 57 m/z 0.17% 0.379% 2475 1.0 425 590490 0.459% 10393409 9891630 12580776 1-5 20: 57 71 85 56 421 55 69 83 99 97 70 113 422 420 127 111 84 141 58 155 0.992 32.11 2.6 99 98 99 99 421 96.3 5.119 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3320 3184.6 3.4 scans 55% TIC 0.49% 0.0914% 2494 1.2 255 210680 2506022 2233224 3-1 0.973 32.33 0.7 81 79 96 86 785 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1004 Campesterol 32.8034 3240.5 3.8 scans 56% 343 m/z 0.41% 0.471% 2539 0.8 450 249963 0.502% 12930425 11852235 13759367 0-1 17: 343 129 382 367 472 95 344 107 121 119 383 105 145 342 93 91 473 0.943 32.21 70.4 82 94 83 95 472 71.8 2.543 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1046 Stigmasterol 33.0085 3264.9 3.5 scans 83% 83 m/z (309) 0.13% 1.72% 2559 0.6 848 784181 47295945 44918441 5-1 20: 83 129 55 255 394 484 69 81 133 159 75 119 105 145 107 93 95 355 351 91 0.998 32.98 3.1 98 99 100 100 665 6.2 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1222 3278.4 3.3 scans 78% 57 m/z 0.092% 0.769% 2569 0.7 608 1122387 0.818% 21079169 20057930 22420642 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 82 58 0.987 33.10 3.0 93 90 98 99 515 24.5 0.162 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3631 3307.0 6.9 scans 44% TIC 0.80% 0.0952% 2592 1.1 285 127807 0.165% 2611425 2483833 4522501 0-1 0.973 33.38 -1.9 95 94 91 95 529 49.7 3.031 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN WTF2-N1034 b-Sitosterol 33.5020 3323.5 4.2 scans 77% TIC 0.25% 0.910% 2606 1.1 621 409407 2.33% 24943458 23338608 63863198 4-1 0.991 32.88 74.2 83 95 96 99 486 87.8 2.000 0.625 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5967 3334.8 3.9 scans 12% 505 m/z (386 485) 2.5% 0.0577% 2614 1.0 155 39820 0.117% 1582607 1577865 3206864 2-0 8: 505 491 506 492 507 223 493 289 0.732 33.63 -3.3 81 86 66 94 505 41.7 7.281 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1054 Steroid 33.58min 3333 33.6125 3336.6 3.5 scans 45% 386 m/z (505) 0.96% 0.296% 2616 1.1 351 107538 0.349% 8117039 7429969 9565775 6-12 5: 386 296 387 281 371 0.980 33.58 3.3 93 95 96 98 505 5.8 0.000 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2427 3411.5 3.5 scans 62% 99 m/z 0.18% 0.419% 2676 0.9 438 557354 11500274 10493459 3-1 16: 99 217 499 361 71 169 500 218 362 100 383 319 363 230 271 257 0.989 34.22 2.8 98 97 98 100 499 112.5 6.610 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4658 3438.0 3.9 scans 43% 271 m/z (421) 0.58% 0.362% 2697 1.0 375 175423 0.509% 9945433 9770969 13951231 2-0 17: 271 505 331 109 241 506 223 475 127 272 201 289 332 243 507 491 273 0.938 34.59 -14.6 95 96 89 98 596 0.0 0.000 -0.123 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4658 3438.0 3.9 scans 50% 271 m/z 0.48% 0.390% 2697 1.0 405 214213 0.548% 10706005 10518200 15020186 2-0 17: 271 505 331 109 241 506 223 475 127 272 201 289 332 243 507 491 273 0.802 34.44 3.6 95 97 87 99 543 40.9 0.000 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6058 3454.6 4.1 scans 23% 596 m/z 0.56% 0.0954% 2710 0.9 190 184251 2616472 2540945 1-1 13: 596 597 598 316 302 315 318 356 300 330 288 600 524 0.923 34.47 15.9 97 96 89 99 596 105.1 30.547 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN EXBLK5S-N1006 Contamination 6.3700 1048.2 4.8 scans 78% TIC 0.55% 0.0383% 27 1.0 180 190745 0.174% 1039266 995663 4715980 1-0 0.996 6.63 -15.1 97 96 87 97 295 57.2 10.115 -0.255 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1192 Contamination 7.9493 1141.8 2.2 scans 97% 147 m/z 0.083% 0.532% 177 1.0 594 1273455 14438568 14428532 1-0 20: 147 73 133 220 235 148 59 146 72 86 74 89 149 160 103 100 75 131 134 236 0.995 7.99 -2.4 99 98 97 99 235 122.1 4.233 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1026 Cadaverine NC 8.1261 1152.3 2.3 scans 55% 174 m/z 2.1% 0.0115% 194 1.1 86 49986 0.0601% 312654 298354 1628910 1-1 10: 174 175 216 142 86 176 100 160 130 217 0.983 7.74 23.1 93 93 86 95 216 21.4 6.203 0.390 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1188 Contamination 8.3060 1163.0 2.2 scans 60% 281 m/z 2.3% 0.0143% 211 1.2 99 45356 0.0147% 389438 389438 398419 0-0 14: 281 147 369 282 283 370 265 207 371 148 249 149 191 284 0.772 8.41 -6.4 97 97 89 98 369 30.2 9.269 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1186 Phosphate 8.4828 1173.4 2.2 scans 98% 241 m/z 0.055% 0.426% 228 0.9 529 1903438 11554956 11192149 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 137 181 134 121 257 1.000 8.56 -4.6 100 99 99 100 299 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1180 Benzoic acid 9.6602 1242.7 2.5 scans 53% 179 m/z 6.0% 0.00537% 340 1.0 56 17485 0.00563% 145696 134086 152592 1-0 6: 179 105 135 180 194 51 1.000 9.76 -5.8 95 96 89 96 194 10.3 3.414 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN VEN77_S6-N1002 Glycerol 10.0274 1264.2 5.1 scans 87% 299 m/z 0.014% 4.01% 375 0.4 1105 7307986 108915361 108081118 1-0 20: 299 73 300 314 133 207 283 315 211 193 191 74 75 135 59 131 225 119 115 134 0.942 10.09 -3.8 100 99 97 99 299 641.7 33.883 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LACTIC~1-N1034 Glycerol 10.0337 1264.5 2.3 scans 9.8% 147 m/z (299) 0.17% 0.271% 375 0.6 370 625060 7369747 7116515 3-0 20: 147 205 117 103 218 206 148 204 149 129 219 203 101 118 104 116 175 217 293 220 0.684 10.11 -4.5 87 93 58 92 293 28.1 0.576 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6577 1301.1 2.9 scans 91% TIC 1.2% 0.0934% 434 1.1 209 85532 0.118% 2532362 2217436 3198194 7-1 0.999 10.73 -4.5 88 82 72 99 209 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1168 Glyceric acid 10.9386 1318.0 3.4 scans 51% TIC 7.2% 0.00536% 461 0.7 59 14684 0.0374% 145397 145397 1013665 0-0 0.835 11.05 -6.9 84 83 78 89 292 18.2 9.441 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9944 1321.3 2.5 scans 48% 184 m/z 8.6% 0.00486% 466 0.9 53 12263 131874 131874 1-0 6: 184 134 285 174 86 100 0.836 11.06 -4.2 88 89 75 90 285 17.5 10.870 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3721 1344.1 2.8 scans 24% 57 m/z (84) 0.40% 0.113% 502 1.1 231 265742 0.115% 3077503 2854817 3116884 4-3 20: 57 97 115 145 127 129 69 111 59 109 128 72 58 71 98 87 201 114 110 113 0.955 11.45 -4.4 95 98 95 99 145 69.1 8.961 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1024 Contamination 10.96min 11.3911 1345.2 3.1 scans 92% 84 m/z (57) 0.038% 0.951% 504 0.7 666 2792280 25797171 24609086 1-5 20: 84 133 162 161 119 92 118 85 82 65 51 130 78 134 117 63 163 120 77 91 0.996 10.96 26.2 95 97 97 99 161 175.4 6.943 0.435 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1146 Malic acid 13.4513 1472.4 2.4 scans 94% 73 m/z 0.31% 0.124% 700 1.1 280 336154 3378175 3323948 1-0 20: 73 147 233 245 189 133 190 148 75 74 191 149 175 335 101 234 55 246 59 265 0.999 13.62 -10.4 98 97 96 97 350 6.4 0.051 -0.166 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5613 1544.6 2.6 scans 46% 292 m/z 5.4% 0.00856% 805 1.1 70 19686 232058 232058 0-0 9: 292 220 205 217 293 103 199 148 294 0.980 14.69 -8.6 83 83 78 85 409 0.0 0.000 -0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6613 1551.2 2.8 scans 93% TIC 0.25% 0.115% 815 1.3 250 425198 0.192% 3125862 2984599 5203840 2-0 0.998 14.16 32.9 91 92 90 97 250 47.5 3.599 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1044 Dodecanol 14.7149 1554.8 2.7 scans 92% TIC 0.43% 0.0792% 820 1.1 212 244785 0.244% 2148907 1929520 6613214 0-10 0.999 14.24 31.4 97 99 98 99 243 117.4 30.674 0.473 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1118 Phenylalanine 15.5399 1609.9 4.6 scans 42% TIC 13% 0.00136% 898 2.0 37 7982 0.00974% 37117 37117 263986 0-0 0.949 15.66 -8.3 85 87 75 87 294 0.0 0.000 -0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN A-AMYRIN-N1010 Contamination?? 16.1786 1654.3 2.8 scans 85% 290 m/z (156) 0.33% 0.0958% 959 1.7 210 319238 2598212 2519965 1-1 13: 290 291 292 392 144 131 393 115 293 160 172 100 200 0.973 16.28 -6.8 97 97 96 99 392 29.7 1.998 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5342 1679.0 2.8 scans 93% 55 m/z 0.29% 0.211% 993 1.1 332 357390 0.232% 5741340 5078470 6287974 4-4 20: 55 69 83 73 56 70 97 57 84 111 127 113 82 98 68 71 67 140 96 85 0.999 16.63 -6.4 99 98 99 98 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1010 Glycerol-P 17.4633 1745.7 2.7 scans 95% 357 m/z 0.056% 1.63% 1081 0.7 932 1882926 44214420 42202649 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 129 133 256 387 218 75 1.000 16.97 36.2 96 99 99 99 445 149.0 2.558 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5422 1751.5 3.7 scans 58% TIC 1.9% 0.0259% 1089 2.2 108 54260 1.14% 704156 680025 30897802 0-1 0.891 17.63 -6.5 84 84 76 85 450 15.6 2.093 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN TAB_REP6-N1048 Citric acid 18.2293 1801.7 2.7 scans 49% 273 m/z (217) 4.6% 0.0137% 1154 1.1 88 23027 373369 373369 1-0 12: 273 363 375 274 347 465 211 364 376 275 348 157 0.964 18.24 -1.1 88 89 81 94 465 12.7 2.070 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4187 1816.1 4.1 scans 95% TIC 0.030% 4.10% 1172 0.5 1204 3501988 111284885 104068362 1-2 0.981 17.91 37.9 96 99 98 99 327 115.3 0.919 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1012 Phytol 18.5513 1826.3 3.1 scans 97% 68 m/z 0.094% 1.46% 1185 0.5 824 1130777 1.60% 39749965 38187202 43365336 1-2 20: 68 95 82 57 123 69 55 81 83 67 97 71 109 96 124 111 56 79 70 110 1.000 18.04 38.2 95 98 99 99 278 49.0 0.354 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1016 Hexadecene 18.6154 1831.2 2.6 scans 87% 70 m/z 0.39% 0.170% 1191 1.0 306 267773 1.24% 4623230 4349550 33608135 0-1 20: 70 69 57 55 71 83 56 111 125 126 97 280 84 85 140 67 112 82 68 98 0.995 18.10 38.8 84 84 92 97 280 46.4 2.291 0.512 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN C14-N1006 C14:0 1TMS STD 18.6407 1833.1 2.6 scans 54% 285 m/z 1.5% 0.0419% 1193 1.1 152 69234 0.431% 1138322 1012734 11681537 12-2 17: 285 117 75 132 129 286 145 131 118 287 300 201 241 116 130 61 257 1.000 18.73 -6.6 95 94 82 95 300 15.3 1.006 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1002 Phytol 18.8min 18.8438 1848.6 2.8 scans 91% 81 m/z 0.56% 0.256% 1212 1.1 351 187870 6955764 6310794 1-11 20: 81 82 68 95 57 123 55 69 83 67 79 71 96 97 124 109 110 278 53 56 0.968 18.84 0.3 95 95 98 96 278 40.4 1.325 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1004 UNKnp_C19:1 acetate 18.8490 1849.0 2.8 scans 92% 264 m/z 0.58% 0.244% 1213 1.3 353 180870 0.262% 6614887 6235233 7101074 1-2 15: 264 279 265 242 266 192 280 99 180 249 243 270 100 222 206 0.996 18.87 -1.6 96 94 96 98 278 40.4 1.306 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1074 Adenine 18.8490 1849.0 2.8 scans 8.8% 264 m/z (81) 1.3% 0.0240% 1213 1.3 110 81193 0.0258% 651256 613878 699266 1-2 15: 264 279 265 242 266 192 280 99 180 249 243 270 100 222 206 0.842 18.94 -6.9 85 86 61 95 415 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9353 1855.6 2.7 scans 84% TIC 0.69% 0.0788% 1221 1.2 201 152856 0.329% 2136790 1975318 8916997 0-1 0.992 18.40 40.6 93 97 97 99 364 19.2 0.914 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1018 Fructose 19.0532 1864.5 2.8 scans 63% 103 m/z 1.2% 0.0456% 1232 1.2 151 83676 1236145 1180850 1-4 13: 103 307 217 308 277 218 309 364 262 104 89 219 202 0.989 18.52 40.2 86 91 90 93 364 16.1 1.148 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0889 1867.3 3.0 scans 94% TIC 0.28% 0.514% 1236 0.6 487 369518 13954930 13668458 0-6 0.996 18.58 38.9 91 92 98 99 278 66.6 1.870 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1064 Mannose 19.2394 1878.7 2.8 scans 70% 108 m/z (204) 2.4% 0.0270% 1250 1.2 117 43443 0.0279% 733413 659309 756183 1-0 5: 108 365 290 275 78 0.984 19.45 -16.5 81 82 70 84 319 32.1 7.504 -0.216 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN BRA4_R~2-N1004 Galactose 19.2583 1880.2 2.7 scans 70% 319 m/z 1.2% 0.0441% 1252 0.9 154 83663 0.0470% 1197535 1197535 1273857 0-0 13: 319 205 160 320 321 206 103 229 189 207 89 157 364 0.975 19.36 -7.9 95 94 90 96 364 9.0 0.342 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4688 1896.2 3.7 scans 74% TIC 0.52% 0.0775% 1272 2.1 163 201736 0.208% 2103085 1859260 5637494 2-0 0.951 19.49 -1.6 88 87 87 92 338 30.3 3.449 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9118 1931.7 3.2 scans 84% TIC 0.30% 0.191% 1314 1.2 269 350986 0.272% 5190752 4560711 7372107 0-2 0.968 19.91 -0.0 96 95 94 98 361 11.9 0.194 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7851 2001.9 2.9 scans 94% TIC 0.21% 0.667% 1397 0.9 599 499796 0.741% 18091485 17757370 20083571 1-2 0.999 20.27 41.7 83 83 94 98 322 40.4 0.456 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1038 C16:0 21.1512 2032.7 3.1 scans 97% 117 m/z 0.028% 3.44% 1432 0.4 1246 3765705 93293486 90019108 1-1 20: 117 313 73 75 132 129 145 314 55 131 118 133 328 69 57 201 74 116 315 269 1.000 20.62 44.4 94 99 99 100 328 142.6 1.312 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN INOSIT~1-N1024 myo-Inositol 21.6584 2075.3 2.8 scans 37% 305 m/z 4.4% 0.0160% 1480 1.0 91 23890 0.0437% 433672 402046 1184416 11-3 16: 305 217 318 191 306 319 265 307 218 433 320 432 367 219 192 291 0.994 21.75 -7.6 85 85 71 86 507 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1761 2119.6 3.1 scans 6.1% 396 m/z (143) 3.4% 0.0136% 1529 1.3 79 30739 0.0149% 369817 358865 403840 1-0 7: 396 219 397 381 398 220 382 0.595 22.19 -0.9 84 88 49 90 396 41.6 27.788 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2781 2128.5 2.9 scans 28% 327 m/z 2.7% 0.0211% 1539 1.0 104 38981 573339 527577 1-1 5: 327 328 342 283 299 0.863 22.33 -4.5 92 93 68 93 342 15.2 2.138 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1040 Phytol 22.6148 2157.9 3.3 scans 90% 143 m/z 0.059% 0.651% 1571 0.8 517 1792717 17652010 15625980 7-1 20: 143 73 75 144 123 81 57 55 124 145 69 95 71 103 83 82 97 68 67 74 0.995 22.08 46.4 81 82 90 98 181 12.6 0.060 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1820 2207.8 5.7 scans 85% 79 m/z 0.039% 8.88% 1625 0.4 1452 2695860 9.44% 240770282 219733235 255855483 0-6 20: 79 75 95 67 73 93 108 80 55 81 91 129 107 94 121 117 77 135 149 122 0.973 23.12 6.0 95 95 96 94 350 102.4 0.498 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2062 2210.0 5.3 scans 48% 357 m/z (79) 0.10% 1.61% 1627 0.4 661 1051367 1.72% 43870576 40515009 46617736 2-3 20: 357 169 339 231 211 156 358 340 170 372 181 141 195 222 182 269 196 360 354 212 0.875 23.28 -6.8 82 83 65 92 450 28.4 0.184 -0.075 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1004 UNKnp_Ntb 23.34min 23.3451 2222.7 >3 scans 42% TIC 1.1% 0.0187% 1640 1.4 142 93903 0.462% 507911 507911 12521741 0-0 0.933 23.34 0.9 82 80 76 89 286 22.2 2.432 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1036 C18:0 23.4072 2228.4 2.8 scans 84% 341 m/z 0.11% 0.780% 1646 0.9 637 959226 21158316 19541693 4-2 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 343 69 201 74 297 116 0.957 22.89 46.6 93 99 94 99 356 83.3 1.714 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4166 2229.2 4.3 scans 13% 143 m/z (341) 1.4% 0.161% 1647 1.5 237 73608 0.214% 4364551 4364551 5800114 0-0 17: 143 81 67 107 115 109 93 172 266 144 82 267 96 210 175 113 122 0.785 23.26 14.6 87 91 62 91 379 18.8 0.630 0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7186 2256.8 2.7 scans 52% 163 m/z (195) 0.42% 0.0933% 1676 1.3 216 248673 0.103% 2530915 2305762 2791644 2-0 9: 163 331 164 165 88 332 178 90 313 0.970 23.72 -0.1 91 91 90 96 331 45.7 4.463 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1004 Prostaglandin 23.7649 2261.1 2.8 scans 88% 73 m/z (95) 0.13% 0.878% 1680 0.8 644 815230 1.96% 23800136 21768923 53122537 5-0 20: 73 169 231 143 211 81 147 156 195 75 117 182 181 79 183 170 221 93 107 157 0.998 23.76 0.7 97 98 97 98 360 53.4 0.688 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1006 17-Methyltestosterone 23.8659 2270.3 3.5 scans 78% 73 m/z 0.14% 0.692% 1690 1.7 519 749010 1.31% 18768910 18662142 35505369 2-0 19: 73 143 293 360 345 117 407 265 147 144 169 69 130 346 361 115 257 294 81 0.914 23.88 -1.0 99 99 90 98 450 12.1 0.055 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1006 Androsterone 23.8985 2273.3 >3 scans 54% 143 m/z 0.27% 0.203% 1693 1.0 319 386563 0.691% 5511346 5511346 18728405 0-0 20: 143 187 135 188 75 255 144 145 202 107 93 159 134 80 131 189 121 157 105 136 0.995 23.89 0.9 98 97 97 99 345 5.2 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1010 Epitestosterone 23.9680 2279.6 3.0 scans 78% 143 m/z 0.45% 0.159% 1699 1.0 284 232895 1.44% 4324661 4324661 39028803 0-0 19: 143 73 135 75 144 255 80 157 107 93 187 145 345 105 134 159 156 169 175 0.994 23.96 0.7 98 96 98 99 360 30.9 1.183 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1024 Glycerolgalactose 24.1437 2295.7 3.2 scans 33% 204 m/z (143) 0.71% 0.0462% 1716 0.9 143 149647 0.0703% 1252434 1169259 1905364 1-3 10: 204 337 217 206 219 338 218 339 319 291 0.991 24.18 -3.4 85 86 76 87 581 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1012 11b-Hydroxyandrosterone 24.1784 2298.8 >4 scans 45% 143 m/z (333 204) 1.0% 0.0981% 1719 1.2 201 102224 1.68% 2660716 2660716 45533603 0-0 19: 143 156 355 155 181 168 144 360 356 345 67 157 195 182 109 69 183 255 170 0.932 24.18 0.0 82 87 84 88 450 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1012 Androsterone 24.23min 24.2384 2304.5 3.2 scans 85% 143 m/z 0.050% 0.507% 1725 1.1 524 2116879 1.13% 13747532 13747532 30626769 0-0 19: 143 73 144 75 156 81 145 69 95 272 155 109 74 115 219 170 93 169 362 0.994 24.23 0.7 100 99 99 100 362 36.1 0.476 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1014 Androsterone 24.3min 24.2794 2308.4 >4 scans 91% 143 m/z 0.054% 0.535% 1729 1.1 511 1968786 1.21% 14508299 14508299 32795035 0-0 20: 143 73 144 75 156 145 81 95 69 109 155 55 74 272 115 170 67 123 219 107 1.000 24.27 0.5 100 99 99 99 362 31.9 0.390 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1016 Androsterone 24.5min 24.5267 2331.9 3.1 scans 26% 143 m/z 1.2% 0.0286% 1753 1.1 111 88260 0.0547% 776686 672765 1482552 0-4 9: 143 300 144 180 284 179 374 362 228 0.837 24.52 0.9 88 89 76 94 362 7.7 0.480 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1018 myo-Inositol 25.2127 2397.1 2.9 scans 56% 318 m/z 0.95% 0.0978% 1818 0.9 208 111169 2653083 2212426 10-6 16: 318 315 299 319 387 316 389 320 317 300 388 301 432 343 246 305 0.955 25.21 0.3 98 98 95 98 470 15.4 0.545 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2759 2403.3 >6 scans 58% TIC 1.2% 0.106% 1824 0.9 193 88103 0.268% 2898610 2138148 7263694 0-4 0.937 25.28 -0.4 93 94 88 94 464 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1022 Steroid 25.47min 2422 25.4737 2422.8 3.1 scans 48% 143 m/z 0.78% 0.116% 1843 1.0 230 135525 3152697 2753455 5-3 19: 143 182 169 195 196 374 183 170 144 265 95 109 375 269 184 284 137 123 115 0.825 25.47 0.6 95 96 93 99 374 36.8 2.556 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6231 2437.6 3.3 scans 52% 91 m/z 0.65% 0.0554% 1857 1.3 155 162280 0.0761% 1502084 1353779 2062564 6-2 18: 91 117 194 207 92 65 193 115 312 103 374 104 51 118 178 128 63 116 0.981 25.61 1.3 87 85 92 91 312 18.5 1.426 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1024 Steroid 26.19min 2494 26.2007 2494.8 3.0 scans 74% TIC 0.31% 0.160% 1912 0.6 290 335991 0.962% 4338785 4322944 26073408 0-1 0.971 26.19 0.7 95 93 96 99 347 11.2 0.000 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3007 2504.9 3.0 scans 50% 204 m/z 0.69% 0.0647% 1921 1.2 175 153803 0.662% 1755902 1501555 17942408 14-0 9: 204 217 205 219 206 218 305 220 293 0.955 25.86 44.2 85 88 88 98 361 6.1 0.000 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3912 2514.3 3.1 scans 90% 204 m/z 0.060% 0.751% 1930 0.8 595 1759114 0.811% 20360338 19137961 21980805 1-1 19: 204 73 205 147 495 206 117 363 496 273 130 129 74 103 191 319 143 231 131 0.990 26.35 4.3 93 92 96 92 495 85.5 2.066 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5595 2531.7 3.5 scans 66% TIC 0.42% 0.189% 1946 1.8 288 248547 5133712 5133712 0-0 0.856 26.57 -1.4 98 98 89 98 512 92.7 10.380 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1028 C16:0-glycerol 26.9289 2569.8 2.7 scans 93% 371 m/z 0.055% 0.940% 1981 0.8 720 1903260 25494594 24550347 1-1 20: 371 372 73 147 129 57 205 203 239 459 55 373 103 71 116 75 101 145 117 133 1.000 26.39 55.2 90 98 98 100 459 91.4 1.610 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1014 Sucrose 27.4171 2620.9 2.8 scans 34% 361 m/z (397 222) 1.6% 0.0472% 2027 1.1 150 63842 1279911 1204219 1-2 12: 361 217 362 437 363 451 271 438 319 320 331 364 0.872 27.49 -7.8 81 82 76 91 437 24.6 2.674 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1008 Sucrose 27.4171 2620.9 2.8 scans 23% 361 m/z 1.7% 0.0302% 2027 1.1 124 61675 819003 770569 1-2 12: 361 217 362 437 363 451 271 438 319 320 331 364 0.591 27.59 -18.6 91 91 74 93 437 24.6 3.943 -0.174 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN LQC1-N1010 Sucrose 27.4171 2620.9 2.8 scans 39% 361 m/z (222) 1.5% 0.0537% 2027 1.1 161 70494 1457815 1371603 1-2 12: 361 217 362 437 363 451 271 438 319 320 331 364 0.874 27.58 -17.3 82 83 78 86 437 24.6 2.348 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.6023 2640.7 3.3 scans 21% 99 m/z 1.2% 0.0427% 2045 1.1 153 84102 0.106% 1158761 1152051 2872954 0-1 12: 99 71 214 189 100 186 287 296 142 368 227 190 0.723 27.60 0.1 84 85 80 94 368 14.4 0.886 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1028 Heptacosane 28.0400 2687.4 3.0 scans 55% 57 m/z (333) 0.62% 0.122% 2086 1.0 222 169675 0.126% 3306825 2704817 3415020 8-9 19: 57 71 85 55 99 69 56 97 113 70 83 127 84 141 98 86 112 126 58 0.951 28.04 0.6 87 89 94 96 380 15.3 0.473 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0410 2687.5 3.1 scans 60% TIC 0.59% 0.0809% 2087 1.1 234 178316 0.139% 2195072 2170963 3767364 1-1 0.922 28.06 -2.3 87 90 88 87 542 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3641 2723.2 3.1 scans 38% 99 m/z 0.73% 0.0614% 2117 1.5 181 145151 0.149% 1664972 1653538 4038397 1-0 18: 99 71 189 173 283 171 145 385 184 185 273 187 286 288 199 100 287 386 0.902 28.41 -5.2 82 81 74 85 603 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1030 C18:0-2-glycerol 28.6713 2757.7 3.0 scans 54% 189 m/z 1.4% 0.115% 2146 1.1 237 76116 0.219% 3123187 3023876 5935630 1-0 14: 189 341 145 117 129 457 103 188 357 342 458 190 158 248 0.904 28.67 0.4 98 98 90 98 457 37.4 2.504 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1030 C18:0-1-glycerol 28.7260 2763.9 2.6 scans 89% TIC 0.098% 0.574% 2152 0.7 557 1087223 0.693% 15570744 15099645 18782611 0-1 0.997 28.19 60.0 89 97 97 99 487 71.0 1.628 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1032 Sterol 29.17min 2814 29.1743 2814.3 3.6 scans 65% 99 m/z 0.22% 0.175% 2194 1.4 261 469650 0.182% 4745402 4014639 4932807 4-12 17: 99 71 81 100 269 283 256 356 355 185 257 169 98 241 196 255 357 0.977 29.17 0.6 98 97 95 98 355 24.4 0.873 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1034 Nonacosane 29.5099 2852.1 2.9 scans 70% 57 m/z 0.40% 0.142% 2226 1.0 278 265616 0.149% 3856598 3630818 4038397 3-4 19: 57 71 85 55 99 56 69 365 83 113 70 127 366 141 84 364 58 393 98 0.994 29.50 0.6 98 96 99 100 408 9.4 0.115 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1036 Nonacosane 29.82min 29.8340 2888.5 3.0 scans 76% 57 m/z 0.28% 0.199% 2257 1.0 321 371293 5411129 4944037 5-6 20: 57 71 85 55 99 69 83 56 113 97 70 127 84 111 141 98 112 72 86 58 0.994 29.83 0.8 98 96 99 100 408 19.5 0.369 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1038 Hexacosanol 30.1801 2929.0 2.9 scans 62% 439 m/z 0.41% 0.0959% 2290 0.9 226 257478 0.0988% 2600093 2519005 2677810 1-4 8: 439 440 75 103 441 89 61 442 0.985 30.17 0.9 100 100 99 100 439 120.5 28.352 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1042 C20:0-2-glycerol 30.3885 2953.7 3.2 scans 30% 189 m/z (204) 1.3% 0.108% 2310 1.5 207 76543 0.111% 2949492 2754702 3008470 1-5 15: 189 369 145 117 485 188 370 385 130 486 190 295 146 371 386 0.898 30.38 0.8 84 85 51 94 485 33.4 2.592 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4674 2963.1 3.0 scans 77% 57 m/z 0.20% 0.284% 2317 0.9 377 511325 0.322% 7708090 7358789 8727274 1-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 113 394 127 111 84 141 58 365 0.996 30.46 0.5 99 98 99 100 393 87.9 5.452 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2166 3052.1 3.2 scans 85% 57 m/z 0.12% 0.543% 2388 0.8 504 843004 0.579% 14721001 14451149 15692831 1-2 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 421 155 394 392 0.994 31.21 0.6 100 98 100 100 393 77.4 2.363 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1048 Hentriacontane 31.5375 3090.2 3.2 scans 92% 57 m/z 0.044% 1.63% 2419 0.6 863 2394328 44367773 43077278 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 82 1.000 31.53 0.7 100 99 100 100 436 53.5 0.384 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6858 3107.8 3.3 scans 21% 204 m/z 1.4% 0.0177% 2433 1.0 117 72526 0.0460% 482284 453982 1246753 0-1 16: 204 217 205 597 337 103 218 598 129 147 206 361 191 219 203 338 0.890 31.68 1.2 87 87 81 88 597 15.6 1.796 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8205 3123.8 2.8 scans 65% 502 m/z (467) 0.20% 0.248% 2446 0.9 348 517384 6726245 6457048 1-1 15: 502 237 503 73 236 238 504 277 221 239 223 74 208 505 262 0.971 31.79 3.4 98 99 95 99 502 170.7 24.021 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1020 Cholesterol 31.9468 3138.8 3.2 scans 71% 329 m/z 0.59% 0.338% 2458 1.0 399 179868 9183012 8523159 1-1 16: 329 129 368 353 458 95 330 107 105 121 119 145 328 369 159 91 0.991 31.87 9.4 95 93 94 98 458 58.3 2.136 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1151 3158.8 3.0 scans 73% 57 m/z 0.17% 0.339% 2474 0.9 420 605045 0.422% 9198062 8792991 11437607 3-5 20: 57 71 85 56 421 55 69 83 99 97 70 420 113 422 111 127 84 141 58 155 0.989 32.11 0.6 99 97 99 99 421 96.6 5.291 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3161 3182.7 3.0 scans 50% 57 m/z 0.49% 0.105% 2493 0.9 252 215552 2848727 2764626 1-1 19: 57 71 85 83 55 99 69 56 70 113 97 127 84 141 98 112 155 58 86 0.968 32.33 -1.2 82 81 94 88 785 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1004 Campesterol 32.7864 3238.5 3.9 scans 48% 129 m/z 0.47% 0.408% 2538 0.9 411 223582 0.453% 11062310 10009298 12277811 0-1 19: 129 343 382 472 367 95 121 344 107 119 75 383 105 145 342 81 93 159 91 0.959 32.21 68.4 82 94 82 95 472 66.1 2.582 0.576 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1046 Stigmasterol 32.9748 3260.9 4.7 scans 100% 73 m/z (309) 0.16% 2.14% 2555 1.0 771 641729 58230420 48943727 4-3 20: 73 455 366 295 296 74 342 456 297 298 261 249 325 313 385 251 276 180 247 238 0.988 32.98 -0.9 97 97 98 99 665 9.5 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1053 3276.4 3.0 scans 79% TIC 0.086% 0.668% 2568 0.8 627 1234107 2.46% 18128825 17863911 66674204 1-1 0.991 33.10 1.0 89 84 96 99 515 24.4 0.152 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3483 3305.3 4.2 scans 35% 217 m/z (471) 0.84% 0.220% 2591 1.0 285 126018 0.553% 5970933 5311765 14988144 0-2 20: 217 99 189 437 199 529 361 438 73 71 287 173 530 362 439 218 200 451 190 297 0.969 33.38 -3.6 93 95 92 96 529 52.0 3.324 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN WTF2-N1034 b-Sitosterol 33.4830 3321.3 3.4 scans 69% 129 m/z 0.28% 0.719% 2604 0.7 578 373557 19499554 17970784 1-3 19: 129 357 396 486 381 95 358 107 119 121 75 145 356 105 81 397 57 55 255 0.994 32.88 72.0 84 95 97 99 486 82.9 2.056 0.606 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5787 3332.6 3.4 scans 7.9% 505 m/z (386 99) 3.4% 0.0399% 2613 1.3 128 30501 0.0731% 1083759 1083759 1981254 0-0 8: 505 491 506 492 223 507 493 508 0.629 33.63 -5.5 82 89 59 95 505 40.5 10.089 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1054 Steroid 33.58min 3333 33.5935 3334.4 3.4 scans 44% 386 m/z (99) 1.0% 0.257% 2614 1.1 327 103919 0.335% 6985772 6609941 9079617 1-7 10: 386 296 387 281 119 257 107 371 121 159 0.980 33.58 1.1 94 96 96 98 505 5.9 0.000 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2237 3409.2 3.6 scans 58% 99 m/z 0.20% 0.397% 2674 1.0 406 512676 10761978 9835516 3-2 16: 99 217 499 71 361 169 500 218 362 100 383 363 230 257 319 219 0.987 34.22 0.5 98 97 97 100 499 105.9 6.803 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4447 3435.5 3.7 scans 41% 271 m/z (421) 0.68% 0.311% 2695 1.0 337 155977 0.407% 8436326 7678389 11031057 2-0 18: 271 505 331 109 506 241 223 475 201 127 272 332 289 243 491 507 273 476 0.932 34.59 -17.1 95 96 89 98 596 0.0 0.000 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4447 3435.5 3.7 scans 47% 271 m/z 0.58% 0.317% 2695 1.0 360 181575 0.415% 8601845 7829037 11247884 2-0 18: 271 505 331 109 506 241 223 475 201 127 272 332 289 243 491 507 273 476 0.829 34.44 1.1 96 97 89 99 543 32.9 0.000 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5857 3452.2 3.8 scans 22% 596 m/z 0.58% 0.0883% 2708 0.9 183 182430 2393828 2346603 2-1 12: 596 597 598 316 599 318 356 315 303 342 300 330 0.924 34.47 13.5 97 96 89 99 596 101.4 30.822 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN EXBLK5S-N1006 Contamination 6.3625 1047.7 4.0 scans 81% TIC 0.48% 0.0694% 26 2.8 199 216218 0.163% 1772299 1772299 4159117 0-0 0.990 6.63 -15.6 98 97 89 98 295 61.3 9.511 -0.262 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN BRA4_R~4-N1014 Lactic acid 6.7992 1073.6 >6 scans 46% 147 m/z (131) 4.3% 0.0227% 68 0.5 87 23662 0.104% 579522 575042 2653670 0-1 12: 147 117 73 191 85 190 71 259 88 219 148 66 0.966 6.82 -1.3 81 79 63 97 295 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1192 Contamination 7.9429 1141.4 2.5 scans 96% 147 m/z 0.10% 0.497% 176 1.0 532 959161 12690006 12187648 1-1 20: 147 73 133 220 235 148 59 146 72 74 86 89 149 160 103 75 100 131 134 221 0.999 7.99 -2.8 98 96 97 97 235 109.3 4.224 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1026 Cadaverine NC 8.1186 1151.8 2.2 scans 57% 174 m/z 2.5% 0.00927% 193 1.0 78 40952 236690 235898 1-0 10: 174 175 216 86 142 176 100 160 130 217 0.946 7.74 22.6 93 94 84 95 216 19.9 6.478 0.383 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1188 Contamination 8.2975 1162.4 2.2 scans 61% 281 m/z 2.6% 0.0129% 210 1.1 93 39954 330579 317433 1-3 11: 281 147 369 282 283 370 207 265 371 249 148 0.763 8.41 -7.0 98 97 92 98 369 29.5 10.102 -0.117 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1186 Phosphate 8.4753 1173.0 2.1 scans 98% 241 m/z 0.071% 0.330% 227 1.2 474 1448140 8437694 8436790 0-1 20: 241 242 133 211 163 73 256 243 135 195 98 59 89 147 119 137 181 121 257 164 1.000 8.56 -5.0 100 99 99 100 299 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1180 Benzoic acid 9.6538 1242.3 2.6 scans 49% 179 m/z 4.8% 0.00673% 339 1.2 62 21328 171755 159364 1-1 7: 179 105 135 77 180 194 51 1.000 9.76 -6.2 95 95 88 95 194 10.7 2.958 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN VEN77_S6-N1002 Glycerol 10.0168 1263.5 5.0 scans 83% 299 m/z 0.014% 3.81% 374 0.4 1089 6997161 97252088 97252088 0-0 20: 299 300 314 301 133 207 283 315 211 193 191 316 135 225 119 134 115 284 189 208 0.935 10.09 -4.5 100 99 98 99 299 643.3 35.086 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LACTIC~1-N1034 Glycerol 10.0200 1263.7 4.4 scans 33% 73 m/z (299) 0.040% 1.34% 374 0.4 688 2545235 34339660 34184356 1-0 20: 73 133 207 74 191 75 59 131 119 177 134 115 72 189 105 89 269 192 61 221 0.894 10.11 -5.3 88 89 87 95 293 34.7 0.255 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6523 1300.7 2.9 scans 92% TIC 1.0% 0.109% 434 1.2 234 94659 2781778 2645316 2-1 0.999 10.73 -4.9 85 78 67 99 209 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9869 1320.9 2.4 scans 63% 184 m/z 3.8% 0.0136% 466 1.0 90 26913 0.0139% 349264 321085 354673 4-1 14: 184 134 285 174 86 77 100 59 227 286 172 135 110 186 0.954 11.06 -4.6 93 93 89 94 285 28.9 10.393 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3668 1343.8 2.8 scans 19% 57 m/z (84) 0.36% 0.124% 502 0.8 244 288355 3189284 2856399 4-1 20: 57 97 115 145 127 69 129 56 59 111 128 109 72 58 71 87 98 114 113 201 0.958 11.45 -4.7 96 99 96 99 145 71.9 8.648 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1024 Contamination 10.96min 11.3805 1344.6 3.2 scans 90% TIC 0.042% 0.878% 503 0.8 636 2422741 0.915% 22426453 21456566 23347193 2-0 0.967 10.96 25.6 97 97 96 99 161 165.2 6.751 0.424 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1146 Malic acid 13.4438 1472.0 2.5 scans 94% 73 m/z 0.33% 0.126% 699 1.1 274 308558 3238961 3203190 0-1 20: 73 147 233 245 133 189 148 190 75 74 175 101 191 335 234 55 149 307 171 246 1.000 13.62 -10.8 98 97 96 97 350 0.0 0.000 -0.173 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2540 1524.2 2.5 scans 41% 263 m/z (57 173) 1.5% 0.0191% 776 1.1 105 66817 488980 488980 0-1 10: 263 239 264 342 278 265 279 240 175 179 0.831 14.33 -4.8 83 87 77 88 278 25.7 6.040 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5549 1544.2 2.6 scans 40% 292 m/z 7.1% 0.00582% 805 0.9 59 14618 148708 148708 0-1 8: 292 220 205 293 217 103 199 148 0.938 14.62 -4.4 80 80 68 83 409 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6538 1550.7 2.7 scans 90% 174 m/z 0.28% 0.102% 814 1.3 233 359771 0.111% 2620546 2547402 2832282 1-0 20: 174 73 175 86 176 250 100 59 91 130 251 162 74 117 177 87 121 65 131 252 0.992 14.16 32.4 91 92 89 97 250 45.1 3.737 0.489 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1044 Dodecanol 14.7086 1554.3 2.8 scans 92% TIC 0.43% 0.0906% 819 1.1 216 237596 0.238% 2313618 2281588 6072822 0-1 0.999 14.24 30.9 97 98 98 99 243 118.5 30.008 0.467 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.1589 1584.2 2.5 scans 67% 342 m/z 1.9% 0.0191% 862 1.1 105 52252 488151 488151 0-1 10: 342 239 343 344 240 327 254 345 241 179 0.943 14.37 52.0 80 88 79 89 342 55.6 27.893 0.785 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN A-AMYRIN-N1010 Contamination?? 16.1711 1653.8 3.6 scans 80% TIC 0.38% 0.113% 958 1.0 203 273311 0.189% 2907956 2830228 4822535 1-0 0.948 16.28 -7.3 99 97 95 99 392 28.6 1.989 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5289 1678.6 2.8 scans 93% 55 m/z 0.30% 0.232% 992 1.3 331 336833 0.257% 5921692 5301212 6557627 8-3 20: 55 69 83 73 70 56 97 57 84 111 113 127 82 98 71 68 67 140 85 96 1.000 16.63 -6.8 99 98 98 98 210 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1010 Glycerol-P 17.4558 1745.2 2.7 scans 97% TIC 0.065% 1.49% 1081 0.8 866 1586505 38034128 37273256 3-0 1.000 16.97 35.7 96 99 99 99 445 140.5 2.630 0.488 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5347 1750.9 2.4 scans 54% 217 m/z 1.9% 0.0177% 1088 1.0 105 52385 0.105% 452113 439665 2679186 0-1 12: 217 218 219 450 305 191 232 257 148 451 169 155 0.986 17.63 -7.1 83 83 73 84 450 16.4 2.445 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN TAB_REP6-N1048 Citric acid 18.2218 1801.1 2.7 scans 35% 273 m/z 4.7% 0.00971% 1153 1.1 72 21918 247924 234186 1-1 14: 273 363 375 274 347 465 275 364 211 221 257 376 348 183 0.776 18.24 -1.7 92 93 65 93 465 12.8 3.138 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4112 1815.6 4.0 scans 91% 73 m/z 0.029% 4.15% 1171 0.5 1207 3586286 106122012 103375737 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 213 66 58 133 90 77 121 277 0.936 17.91 37.4 95 99 93 98 327 120.6 0.999 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1012 Phytol 18.5428 1825.6 2.8 scans 97% 68 m/z 0.095% 1.36% 1184 0.6 827 1089872 1.49% 34726990 34241977 38018926 1-0 20: 68 95 82 57 123 69 55 81 67 83 97 71 96 109 124 111 79 56 110 70 1.000 18.04 37.5 95 98 99 99 278 48.9 0.350 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1016 Hexadecene 18.6080 1830.6 3.1 scans 88% TIC 0.45% 0.196% 1190 1.5 299 229831 5.61% 5013531 4691099 143145083 0-1 0.994 18.10 38.2 86 87 93 97 280 43.6 2.129 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN C14-N1006 C14:0 1TMS STD 18.6354 1832.7 2.7 scans 65% 285 m/z 1.7% 0.0386% 1193 1.0 144 58880 985307 982590 1-0 15: 285 117 132 129 286 145 131 118 300 287 201 61 116 241 130 0.994 18.73 -7.0 95 94 82 95 300 14.8 1.065 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1002 Phytol 18.8min 18.8384 1848.2 2.7 scans 89% 81 m/z 0.59% 0.218% 1212 1.1 345 175463 5572603 5268810 1-3 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 97 124 109 278 53 111 56 0.970 18.84 -0.1 98 97 98 98 278 40.6 1.387 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9300 1855.1 2.8 scans 73% 73 m/z 1.2% 0.0458% 1221 0.9 153 85056 0.0596% 1169804 1107521 1520757 2-2 20: 73 103 307 217 147 308 277 309 133 205 104 89 189 364 117 172 148 219 191 291 0.987 18.40 40.1 93 97 96 97 364 14.8 0.938 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1018 Fructose 19.0489 1864.2 2.8 scans 41% 103 m/z 1.6% 0.0316% 1232 1.2 127 61227 0.0320% 807933 750828 816514 2-1 12: 103 307 217 308 277 218 262 309 89 104 364 219 0.965 18.52 39.9 86 91 89 93 364 13.5 1.140 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0815 1866.7 2.8 scans 94% 81 m/z 0.30% 0.427% 1235 0.9 478 343049 10907010 10867773 0-1 20: 81 82 95 68 123 57 55 69 83 79 67 71 96 97 109 124 278 111 53 56 0.997 18.58 38.3 92 94 98 99 278 65.0 1.851 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN BRA4_R~2-N1004 Galactose 19.2509 1879.6 2.7 scans 60% 319 m/z 1.9% 0.0303% 1251 1.0 127 53856 0.0321% 773712 715831 819065 3-1 14: 319 205 160 320 321 206 229 148 161 189 89 157 307 218 0.983 19.36 -8.5 94 93 89 94 364 6.0 0.223 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1068 Galactopyranose 19.3266 1885.4 2.8 scans 62% 204 m/z 2.0% 0.0310% 1258 1.4 124 51518 0.0542% 792935 771500 1382970 0-8 11: 204 191 205 206 192 279 218 219 193 303 243 0.903 19.32 0.9 81 79 79 84 435 0.0 0.000 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.4603 1895.6 2.7 scans 61% 174 m/z 0.88% 0.0304% 1271 1.1 126 117428 775890 756364 3-0 12: 174 175 176 86 338 334 100 339 290 335 130 163 0.917 19.49 -2.2 81 77 79 87 338 23.6 3.529 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9033 1931.0 3.0 scans 86% TIC 0.30% 0.191% 1313 1.3 273 345883 0.261% 4878941 3858297 6659691 2-2 0.989 19.91 -0.7 97 95 95 99 361 12.1 0.197 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7766 2001.2 2.9 scans 94% 75 m/z 0.24% 0.617% 1396 1.0 565 428140 0.662% 15754765 15400421 16891630 2-1 20: 75 73 79 67 93 95 91 80 108 129 55 81 94 121 307 117 77 107 135 145 0.999 20.27 41.0 83 82 94 98 322 39.0 0.475 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1038 C16:0 21.1417 2031.9 3.2 scans 98% 313 m/z 0.030% 3.38% 1431 0.5 1220 3394030 86309270 86248329 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 133 57 118 69 74 201 116 315 83 1.000 20.62 43.6 94 99 99 100 328 138.9 1.297 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1042 myo-Inositol 21.6478 2074.4 2.8 scans 20% 305 m/z 9.6% 0.00715% 1479 0.9 61 10770 182655 181086 2-0 8: 305 318 306 218 319 87 307 308 0.982 21.77 -10.7 81 79 64 90 318 19.2 9.817 -0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2707 2127.8 2.7 scans 29% 327 m/z 2.7% 0.0226% 1538 1.1 111 38142 577465 555832 1-1 6: 327 328 342 283 329 299 0.873 22.33 -5.2 93 93 72 93 342 16.0 2.100 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1040 Phytol 22.6063 2157.1 3.2 scans 90% TIC 0.066% 0.523% 1570 0.8 494 1574292 0.692% 13349217 12488831 17657112 0-3 0.994 22.08 45.6 81 83 90 97 181 11.6 0.056 0.522 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1042 C18:2 23.0367 2194.7 >6 scans 74% 73 m/z (342) 0.12% 1.28% 1611 1.5 594 802206 7.97% 32668265 30282566 203362979 6-0 19: 73 117 74 316 145 239 126 213 589 319 156 155 201 192 498 169 280 130 388 0.981 22.53 43.9 85 91 94 97 352 33.1 0.312 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1703 2206.7 4.7 scans 81% 79 m/z (169) 0.039% 8.27% 1624 0.3 1455 2615435 9.08% 211243825 160612351 231685803 0-8 20: 79 75 95 73 93 67 108 80 81 91 129 107 55 94 121 335 135 77 149 117 0.987 23.12 4.9 94 96 97 95 350 103.9 0.510 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1945 2208.9 4.8 scans 61% 169 m/z (79) 0.11% 1.44% 1626 0.5 646 909976 1.54% 36953468 34231427 39294729 4-4 18: 169 231 143 156 211 170 181 183 195 182 141 269 232 197 270 196 223 212 0.952 23.28 -7.9 81 80 67 91 450 27.5 0.181 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1036 C18:0 23.4018 2227.9 2.9 scans 86% TIC 0.11% 0.846% 1646 1.0 634 883780 0.859% 21589312 19805540 21918293 1-3 0.976 22.89 46.1 93 99 97 99 356 81.7 1.659 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN N479_R~1-N1002 Steroid 23.26min 2215 23.4060 2228.2 4.0 scans 12% 81 m/z (341) 1.4% 0.149% 1646 1.6 236 70815 0.154% 3821308 3800255 3929473 1-0 18: 81 95 67 109 174 115 68 53 93 107 172 121 82 96 100 228 210 94 0.765 23.26 13.6 86 90 60 90 379 18.5 0.611 0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7154 2256.5 >3 scans 60% TIC 0.46% 0.0734% 1675 0.5 227 224321 1.28% 1873627 1873627 32660554 0-0 0.981 23.72 -0.4 92 92 86 93 331 44.9 3.913 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1004 Prostaglandin 23.7553 2260.2 2.8 scans 86% 73 m/z 0.15% 0.699% 1679 0.9 585 661852 1.50% 17845479 16022185 38274086 5-1 20: 73 169 231 143 211 147 81 156 75 195 117 182 181 170 183 221 107 93 79 157 0.996 23.76 -0.2 99 98 97 98 360 49.9 0.729 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN N479_R~1-N1006 17-Methyltestosterone 23.8564 2269.4 3.4 scans 76% 143 m/z 0.21% 0.432% 1689 1.1 462 479297 1.07% 11035128 10767257 27302182 2-0 20: 143 73 360 293 345 117 407 265 147 144 75 69 169 130 346 361 257 115 318 294 0.994 23.88 -1.9 98 98 96 97 450 11.6 0.064 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1006 Androsterone 23.8911 2272.6 6.3 scans 54% 143 m/z 0.31% 0.180% 1692 1.0 299 326190 0.599% 4616541 4616541 15284119 0-0 20: 143 187 135 75 255 188 144 145 107 93 202 157 189 134 121 156 159 105 270 175 0.989 23.89 0.2 97 96 96 99 345 5.0 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1010 Epitestosterone 23.9605 2278.9 2.9 scans 73% 143 m/z 0.53% 0.125% 1699 0.9 264 194567 1.10% 3191656 3082462 28067663 0-1 19: 143 73 135 75 144 270 255 80 107 157 93 345 187 121 156 159 145 134 229 0.992 23.96 0.0 98 96 97 99 360 29.8 1.277 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1028 Glycerolgalactose 24.1362 2295.0 3.4 scans 25% 204 m/z (333) 0.75% 0.0461% 1716 1.0 138 138049 0.0694% 1178615 1166693 1770814 0-1 11: 204 337 217 205 103 206 338 219 218 361 339 0.953 24.01 11.5 85 88 70 89 490 0.0 0.000 0.126 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN LQC1-N1024 Glycerolgalactose 24.1362 2295.0 3.4 scans 27% 204 m/z (117) 0.76% 0.0501% 1716 1.0 143 136228 0.0755% 1280805 1267850 1926462 0-1 11: 204 337 217 205 103 206 338 219 218 361 339 0.763 24.18 -4.1 87 91 71 90 581 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1012 Androsterone 24.23min 24.2299 2303.7 6.7 scans 83% 143 m/z 0.064% 0.404% 1724 1.0 471 1625144 0.978% 10332336 10332336 24954704 0-0 20: 143 73 144 75 156 145 81 69 95 109 272 155 115 74 219 362 170 130 157 93 0.991 24.23 -0.1 99 98 99 99 362 32.8 0.487 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1014 Androsterone 24.3min 24.2709 2307.6 >4 scans 89% 143 m/z 0.066% 0.471% 1728 1.0 464 1576243 1.04% 12042855 11870759 26536700 0-1 20: 143 73 144 75 156 145 81 69 95 109 55 272 155 74 115 123 107 137 219 170 0.999 24.27 -0.3 100 99 99 99 362 28.2 0.369 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1016 Androsterone 24.5min 24.5203 2331.3 3.1 scans 25% 143 m/z 1.3% 0.0231% 1752 1.3 103 79146 0.0459% 591728 534313 1171187 0-3 8: 143 144 300 180 284 179 374 181 0.845 24.52 0.3 85 87 72 90 362 7.2 0.490 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1018 myo-Inositol 25.2042 2396.3 3.7 scans 66% TIC 0.98% 0.101% 1817 0.8 219 105174 0.311% 2581267 2581267 7935494 0-0 0.974 25.21 -0.5 97 96 94 97 470 14.6 0.448 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN N479_R~1-N1014 Steroid 25.28min Pregnane base 25.2673 2402.4 >5 scans 52% TIC 1.5% 0.0747% 1823 1.5 169 66820 0.213% 1906348 1462775 5434920 0-2 0.931 25.28 -1.3 92 93 86 93 464 0.0 0.000 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1022 Steroid 25.47min 2422 25.4673 2422.2 3.0 scans 52% 143 m/z (369) 1.0% 0.101% 1842 1.0 215 94815 2581368 2378792 5-1 17: 143 182 169 195 374 196 183 170 144 265 269 375 184 137 123 284 115 0.968 25.47 0.0 94 95 91 98 374 34.1 2.527 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6177 2437.1 3.1 scans 52% 91 m/z 0.66% 0.0542% 1856 1.5 155 157274 0.0726% 1385110 1326527 1852466 4-2 16: 91 117 194 207 92 312 65 208 115 193 104 374 51 118 102 178 0.979 25.61 0.8 90 88 93 93 312 18.3 1.398 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1024 Steroid 26.19min 2494 26.1943 2494.2 3.0 scans 70% 143 m/z 0.38% 0.139% 1911 0.8 261 270045 0.150% 3549147 3486424 3827409 8-0 15: 143 192 177 144 81 191 156 169 272 170 155 122 123 145 134 0.973 26.19 0.1 97 97 97 98 347 10.2 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2943 2504.3 3.0 scans 50% 204 m/z 0.72% 0.0551% 1921 1.2 172 143664 0.612% 1408467 1403775 15615827 1-0 14: 204 217 205 147 219 206 218 305 189 203 101 306 291 319 0.955 25.86 43.6 86 90 90 98 361 6.9 0.000 0.438 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3837 2513.5 3.2 scans 91% 204 m/z 0.065% 0.728% 1929 0.8 580 1577278 0.785% 18578584 18394146 20030105 2-0 19: 204 73 205 147 206 117 74 103 130 191 231 143 131 319 133 259 189 148 115 0.990 26.35 3.5 92 91 96 91 495 80.5 1.927 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5521 2530.9 2.9 scans 76% 73 m/z (218) 0.40% 0.215% 1945 1.2 320 255586 5503924 5003201 1-1 20: 73 512 455 247 513 456 57 514 483 248 263 349 207 457 219 484 74 497 423 409 0.963 26.57 -2.2 97 98 95 99 512 100.8 9.950 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1028 C16:0-glycerol 26.9235 2569.3 2.9 scans 94% 371 m/z 0.055% 1.07% 1980 0.8 732 1890803 27416678 27416295 0-1 20: 371 372 73 147 129 57 205 203 239 459 373 103 55 71 116 145 75 117 101 133 1.000 26.39 54.7 90 97 97 99 459 93.5 1.634 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1026 UNKnp_Ntb 27.6min 2641 27.5948 2639.9 3.5 scans 18% 99 m/z 1.7% 0.0316% 2044 1.0 130 58854 0.0910% 808076 808076 2321961 0-0 15: 99 71 189 100 287 173 544 215 368 296 227 142 190 138 216 0.677 27.60 -0.7 85 90 75 92 368 13.0 0.990 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1028 Heptacosane 28.0336 2686.7 2.9 scans 54% 57 m/z (333) 0.67% 0.0996% 2086 1.1 216 154576 0.111% 2542767 2316242 2832282 12-4 16: 57 71 85 55 99 56 113 70 127 84 141 380 98 86 126 140 0.963 28.04 -0.1 84 87 93 92 380 16.1 0.556 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN N479_R~1-N1018 Hydrocarbon 28.06min 28.0357 2686.9 3.0 scans 58% TIC 0.68% 0.0709% 2086 1.2 224 152237 1810030 1696716 1-0 0.916 28.06 -2.9 87 89 87 86 542 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1030 C18:0-2-glycerol 28.6659 2757.1 3.0 scans 59% 189 m/z 1.7% 0.0918% 2146 1.1 224 59960 0.250% 2342712 2184276 6379014 1-0 16: 189 341 145 117 129 457 188 103 357 342 190 458 131 267 158 358 0.977 28.67 -0.2 98 98 95 98 457 35.6 2.520 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1030 C18:0-1-glycerol 28.7207 2763.3 2.8 scans 88% 399 m/z 0.084% 0.680% 2151 0.8 595 1232731 0.712% 17357536 16118081 18167433 0-1 18: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 101 267 133 0.998 28.19 59.4 89 97 97 99 487 77.7 1.707 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN SQUALENE-N1017 Squalene STD 29.0763 2803.3 7.3 scans 44% TIC 1.1% 0.0191% 2185 1.5 143 91927 0.222% 487856 487856 5664565 0-0 0.971 29.09 -1.8 80 80 90 84 410 6.3 0.191 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1032 Sterol 29.17min 2814 29.1678 2813.6 3.5 scans 57% 99 m/z 0.30% 0.124% 2194 1.4 223 336629 0.126% 3183008 2878930 3215023 5-2 13: 99 71 100 283 256 269 356 355 185 257 241 255 196 0.982 29.17 -0.1 97 96 93 97 355 21.2 0.907 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1034 Nonacosane 29.5024 2851.2 2.9 scans 65% 57 m/z 0.48% 0.129% 2225 1.1 257 215562 3295444 3010622 2-10 19: 57 71 85 55 99 56 365 69 83 70 113 127 84 366 141 393 364 58 86 0.990 29.50 -0.3 97 96 98 99 408 9.1 0.124 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1036 Nonacosane 29.82min 29.8265 2887.7 2.8 scans 74% 57 m/z 0.32% 0.180% 2256 1.1 307 322825 4598740 4146250 6-7 19: 57 71 85 55 99 69 83 56 113 97 70 127 84 141 98 112 155 58 72 0.994 29.83 -0.0 98 96 99 100 408 20.1 0.428 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1038 Hexacosanol 30.1727 2928.1 2.9 scans 58% 439 m/z 0.46% 0.0883% 2289 1.0 213 223081 0.0894% 2253651 2175349 2281136 3-1 9: 439 440 75 103 441 89 61 442 423 0.980 30.17 0.0 100 100 99 100 439 114.9 29.016 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1042 C20:0-2-glycerol 30.3821 2953.0 3.0 scans 27% 189 m/z (204 193) 1.7% 0.0855% 2309 1.7 187 58035 0.0913% 2183021 2026817 2329616 1-1 16: 189 369 145 485 188 370 385 486 190 295 371 386 87 277 410 227 0.865 30.38 0.1 80 82 47 95 485 30.9 2.733 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4158 2957.0 2.9 scans 53% 193 m/z (204) 0.59% 0.188% 2312 1.1 291 174501 4802812 4334856 2-3 14: 193 119 105 163 120 91 194 176 171 515 247 325 195 106 0.973 30.36 6.9 84 86 85 87 529 12.7 0.191 0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4620 2962.5 4.2 scans 81% TIC 0.23% 0.263% 2317 1.0 368 438484 0.624% 6725607 6442891 15922020 0-1 0.995 30.46 -0.1 99 98 99 100 393 83.4 5.139 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2081 3051.1 3.0 scans 81% 57 m/z 0.14% 0.489% 2388 0.8 482 739622 0.526% 12479159 11617231 13421446 2-2 20: 57 71 85 55 99 69 393 56 83 97 113 70 127 111 141 84 421 392 394 155 0.994 31.21 -0.4 100 99 100 100 393 75.7 2.463 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1048 Hentriacontane 31.5279 3089.1 3.1 scans 91% 57 m/z 0.047% 1.48% 2418 0.6 838 2172298 37880716 36517982 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 141 84 155 98 112 169 126 0.999 31.53 -0.4 100 99 100 100 436 49.7 0.353 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6763 3106.7 3.3 scans 21% 204 m/z 1.4% 0.0185% 2432 1.0 119 69595 0.0373% 473090 473090 951749 0-0 13: 204 597 217 337 205 191 103 129 598 206 599 361 203 0.926 31.68 0.1 89 90 81 89 597 16.8 2.011 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8120 3122.8 2.8 scans 70% 502 m/z 0.18% 0.273% 2445 0.9 383 564936 6976941 6797849 1-1 13: 502 237 503 73 236 238 504 277 221 239 223 208 505 0.982 31.79 2.4 94 91 90 99 502 182.8 22.745 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1020 Cholesterol 31.9393 3137.9 3.2 scans 69% 329 m/z 0.69% 0.300% 2457 0.9 377 149375 7656615 7359056 1-1 16: 329 129 368 353 458 330 328 107 121 369 119 105 145 91 255 159 0.990 31.87 8.5 96 94 95 98 458 56.6 2.251 0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1066 3157.8 3.0 scans 71% 57 m/z 0.19% 0.300% 2473 0.9 399 522944 0.357% 7658254 7417067 9109233 3-4 20: 57 71 85 56 421 55 69 83 99 97 70 420 422 113 127 111 84 141 58 155 0.990 32.11 -0.4 99 98 99 99 421 91.9 5.305 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN N479_R~1-N1028 Hydrocarbon 32.3min 32.3065 3181.5 3.0 scans 47% 57 m/z 0.58% 0.0919% 2492 1.1 237 177429 2346986 2245778 2-0 18: 57 71 85 83 55 99 56 97 113 70 84 127 98 441 141 86 72 112 0.972 32.33 -2.4 80 81 93 87 785 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1004 Campesterol 32.7790 3237.6 3.5 scans 52% 129 m/z 0.48% 0.364% 2537 0.8 411 212613 0.397% 9299061 9299061 10129875 0-0 19: 129 343 382 472 367 344 95 121 75 119 107 342 383 145 105 81 93 159 91 0.911 32.21 67.5 83 95 83 96 472 65.9 2.567 0.569 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1046 Stigmasterol 32.9810 3261.6 3.3 scans 77% 83 m/z (204) 0.16% 1.45% 2556 0.6 755 619597 37161002 32302710 6-1 20: 83 129 255 55 484 394 69 81 133 75 159 145 119 105 355 107 351 93 95 91 0.945 32.98 -0.2 97 98 99 100 665 52.2 0.000 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1052 Hydrocarbon 33.09min 33.0946 3275.1 3.3 scans 73% TIC 0.10% 0.550% 2567 0.9 579 1023835 2.30% 14056864 14056864 58686933 0-0 0.972 33.10 -0.3 88 85 96 99 515 20.8 0.129 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3387 3304.1 3.6 scans 30% 99 m/z (471) 1.2% 0.168% 2590 0.7 240 85764 0.466% 4310647 4004847 11890483 0-2 20: 99 189 217 437 529 361 199 438 73 530 287 173 362 71 439 218 451 200 531 190 0.949 33.38 -4.8 93 95 89 95 529 45.7 3.617 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN WTF2-N1034 b-Sitosterol 33.4724 3320.0 3.3 scans 68% 129 m/z 0.33% 0.617% 2603 0.8 542 315245 0.734% 15765285 15289451 18728786 1-3 18: 129 357 396 486 381 95 358 75 107 397 121 119 105 145 356 81 255 55 0.990 32.88 70.7 85 96 97 98 486 78.3 2.085 0.595 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN BMN_RE~1-N1062 UNKnp_Disaccharide/Steroid bound compound 33.62min 33.5692 3331.5 3.5 scans 7.1% 505 m/z (386 99) 4.8% 0.0333% 2612 1.2 116 21612 0.0615% 850376 850376 1569238 0-0 6: 505 491 506 507 223 493 0.519 33.63 -6.6 80 88 57 93 505 35.7 9.549 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1054 Steroid 33.58min 3333 33.5860 3333.5 3.4 scans 39% 386 m/z (99) 1.2% 0.223% 2614 1.0 297 83226 5710821 5246561 2-10 6: 386 296 387 281 371 213 0.975 33.58 0.2 94 96 96 98 505 4.7 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8838 3368.9 3.2 scans 14% 441 m/z (99) 0.80% 0.0469% 2642 1.0 143 128946 1199061 1169910 1-1 8: 441 442 646 308 443 647 237 427 0.894 33.80 10.5 91 93 83 95 646 22.8 2.561 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2131 3408.0 3.6 scans 47% 99 m/z 0.29% 0.284% 2673 1.0 345 354434 7267433 6624396 3-1 13: 99 499 217 71 361 169 500 362 383 100 230 451 257 0.980 34.22 -0.7 98 97 96 99 499 92.3 7.174 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4267 3433.3 4.2 scans 39% 361 m/z (421) 0.62% 0.369% 2693 1.4 354 166326 1.46% 9433649 9431497 37253444 1-0 19: 361 169 103 217 117 362 129 171 170 385 183 185 218 155 145 437 557 202 275 0.948 34.59 -19.3 94 95 91 98 596 0.0 0.000 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN QC1-N1058 UNKnp_Disaccharide/Steroid bound compound 34.44min 34.4267 3433.3 4.2 scans 39% 361 m/z 0.69% 0.241% 2693 1.4 353 149772 0.955% 6155519 6154115 24367835 1-0 19: 361 169 103 217 117 362 129 171 170 385 183 185 218 155 145 437 557 202 275 0.878 34.44 -1.1 97 96 94 99 543 38.3 0.000 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\QC6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5730 3450.7 3.7 scans 13% 596 m/z 0.63% 0.0961% 2707 1.0 190 163450 2452368 2350918 2-2 13: 596 597 598 316 302 599 315 356 303 300 330 304 314 0.844 34.47 12.0 96 96 83 99 596 98.3 26.734 0.101 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 1.9 scans 71% 207 m/z 1.5% 0.0251% 27 1.2 137 66152 467438 464838 1-0 13: 207 295 208 209 71 191 296 84 297 74 133 279 85 0.982 6.63 -15.0 93 92 76 94 295 38.7 8.017 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LQC1-N1192 Contamination 7.9588 1142.4 2.2 scans 98% 73 m/z 0.088% 0.659% 178 1.0 655 1125387 12255954 12214544 2-0 20: 73 147 133 220 235 148 59 146 72 86 74 89 75 160 103 100 149 131 134 221 0.996 7.99 -1.8 99 98 97 99 235 130.2 3.953 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LQC1-N1188 Contamination 8.3113 1163.3 2.3 scans 59% 281 m/z 4.6% 0.0101% 211 1.1 79 21728 188277 177410 1-4 12: 281 147 282 369 283 370 148 207 265 371 249 149 0.753 8.41 -6.1 94 94 85 95 369 24.2 9.491 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LQC1-N1186 Phosphate 8.4912 1173.9 2.4 scans 97% 241 m/z 0.067% 0.540% 229 0.9 567 1475305 10057089 9645609 1-1 20: 241 242 133 73 211 163 256 243 195 135 98 59 89 147 119 137 121 75 134 181 1.000 8.56 -4.1 100 99 99 100 299 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LQC1-N1180 Benzoic acid 9.6644 1242.9 2.5 scans 75% 179 m/z 4.3% 0.00986% 340 1.0 76 22924 183465 178669 5-0 7: 179 105 135 77 180 194 51 0.989 9.76 -5.6 96 96 89 96 194 12.7 2.842 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LACTIC~1-N1034 Glycerol 10.0253 1264.0 4.3 scans 33% 73 m/z (299) 0.074% 0.974% 374 0.5 576 1339217 18127941 18122097 1-0 20: 73 133 74 75 59 131 72 163 58 132 87 57 178 85 60 66 76 90 164 62 0.928 10.11 -5.0 90 92 88 96 293 28.7 0.247 -0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN VEN77_S6-N1002 Glycerol 10.0253 1264.0 4.3 scans 89% 73 m/z 0.025% 2.60% 374 0.5 948 3850947 48504659 48489022 1-0 20: 73 133 74 75 59 131 72 163 58 132 87 57 178 85 60 66 76 90 164 62 0.919 10.09 -4.0 100 99 97 99 299 557.4 34.691 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6629 1301.4 2.6 scans 93% TIC 1.0% 0.108% 435 1.1 244 93994 0.126% 2022047 1840736 2342749 8-1 1.000 10.73 -4.2 92 88 79 99 209 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 10.9944 1321.3 2.5 scans 82% 184 m/z 2.7% 0.0279% 466 0.9 123 35776 520033 479814 5-1 20: 184 134 285 73 174 77 86 100 185 227 59 286 172 135 175 110 130 186 74 287 0.990 11.06 -4.2 98 97 93 98 285 36.7 8.860 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3774 1344.4 2.8 scans 14% 57 m/z (84) 0.33% 0.168% 503 1.1 276 299451 0.174% 3130966 2776220 3235225 4-2 19: 57 97 115 145 127 69 129 59 111 109 128 72 71 98 87 114 201 113 95 0.860 11.45 -4.1 93 96 88 98 145 82.4 8.939 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4037 1346.0 3.8 scans 94% TIC 0.024% 2.47% 505 0.5 957 4047589 45975535 42079325 3-5 0.986 10.96 27.0 97 98 96 99 161 247.4 6.684 0.448 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN TAB_REP6-N1026 Malic acid 13.4544 1472.6 2.5 scans 95% 73 m/z 0.23% 0.227% 700 1.1 360 428456 4220960 4105154 1-1 20: 73 147 233 245 133 189 190 148 75 74 191 55 101 149 175 234 335 59 117 217 0.999 13.53 -5.0 99 98 98 98 335 41.1 1.304 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2636 1524.8 2.6 scans 55% 263 m/z 1.4% 0.0248% 777 1.0 118 67138 461657 461657 0-1 10: 263 264 278 265 239 279 175 91 448 207 0.996 14.33 -4.2 88 84 82 95 278 29.0 5.994 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1044 Dodecanol 14.7181 1555.0 2.5 scans 72% 243 m/z 2.4% 0.0208% 820 1.0 109 41038 387713 387713 0-1 14: 243 244 103 89 97 83 101 61 245 59 111 76 115 129 0.947 14.24 31.6 94 96 89 97 243 57.5 28.058 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1817 1654.5 2.8 scans 79% 290 m/z 1.4% 0.0305% 959 1.7 118 69461 0.0419% 568267 551822 779057 2-0 12: 290 73 291 292 144 158 392 117 131 115 74 133 0.976 16.28 -6.6 97 95 88 98 392 16.1 1.865 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5321 1678.8 2.8 scans 67% TIC 3.9% 0.0123% 993 1.1 95 25564 0.0435% 229939 229939 808806 0-0 0.979 16.63 -6.6 86 87 86 86 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1010 Glycerol-P 17.4580 1745.3 2.4 scans 96% 357 m/z 0.12% 0.891% 1081 0.9 724 774397 16579664 16532393 1-0 20: 357 299 73 358 147 315 300 445 370 211 103 359 101 301 133 387 256 129 218 131 0.993 16.97 35.8 96 99 99 99 445 111.8 2.383 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN TAB_REP6-N1048 Citric acid 18.2293 1801.7 2.8 scans 83% TIC 1.6% 0.0424% 1154 1.4 146 59064 0.0547% 789466 710335 1017051 0-1 0.986 18.24 -1.1 96 95 91 96 465 19.3 1.742 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4155 1815.9 3.8 scans 92% 73 m/z (310) 0.031% 5.41% 1172 0.5 1402 3203552 100616882 96677578 1-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 133 77 66 213 121 90 1.000 17.91 37.7 94 99 99 99 327 132.9 0.899 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1012 Phytol 18.5418 1825.5 2.7 scans 98% 68 m/z 0.14% 1.06% 1184 0.8 744 667572 19733903 19537300 1-0 20: 68 95 82 57 69 55 123 81 67 83 71 97 96 109 124 111 56 79 53 70 1.000 18.04 37.4 95 98 99 99 278 41.3 0.308 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6375 1832.8 >3 scans 77% TIC 1.5% 0.0555% 1193 1.9 177 62957 5.45% 1032933 993805 101333189 0-1 0.995 18.73 -6.9 95 95 85 95 300 15.7 0.780 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1002 Phytol 18.8min 18.8417 1848.4 2.6 scans 88% 81 m/z 1.6% 0.104% 1212 1.2 239 62070 1935915 1866314 1-1 20: 81 82 68 95 57 123 55 67 69 83 96 79 71 97 124 109 53 278 56 111 0.997 18.84 0.1 93 92 97 93 278 27.3 1.305 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1018 Fructose 18.9427 1856.1 2.8 scans 69% TIC 2.6% 0.0222% 1222 0.8 113 38025 0.109% 413811 413811 2026664 0-0 0.948 18.52 31.8 87 89 86 90 364 9.7 0.729 0.418 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0837 1866.9 2.8 scans 90% 81 m/z 0.81% 0.217% 1235 1.0 332 123106 4039574 3914770 1-1 20: 81 82 68 95 57 123 55 69 83 67 79 96 71 97 124 109 278 53 56 111 0.998 18.58 38.5 94 97 98 99 278 42.9 1.666 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LQC1-N1068 Galactopyranose 19.2100 1876.5 2.6 scans 65% 204 m/z 1.9% 0.0219% 1247 1.4 110 50312 0.0647% 407865 394682 1202983 6-0 11: 204 191 217 147 192 206 193 218 148 189 149 0.990 19.32 -8.0 87 86 86 87 435 0.0 0.000 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN BRA4_R~2-N1004 Galactose 19.2615 1880.4 2.7 scans 80% 73 m/z 1.1% 0.0676% 1252 0.9 191 89956 0.102% 1257101 1176346 1896511 0-1 20: 73 319 205 160 147 320 217 103 321 206 117 74 89 133 148 229 189 161 157 207 0.996 19.36 -7.7 94 93 91 94 364 11.3 0.349 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.9023 1930.9 2.7 scans 38% 299 m/z (204) 6.4% 0.0214% 1313 1.0 105 15586 399020 369124 4-2 8: 299 117 132 300 145 143 231 72 0.958 19.97 -5.7 85 85 78 95 314 8.5 0.661 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9086 1931.4 2.7 scans 63% 204 m/z 1.9% 0.0311% 1314 0.9 125 51341 579554 532844 5-1 11: 204 159 205 217 206 218 160 189 191 59 305 0.888 19.91 -0.3 88 87 85 89 361 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2716 1960.6 2.6 scans 69% 204 m/z 1.1% 0.0420% 1348 1.2 154 83803 781953 745756 1-3 17: 204 73 191 205 147 217 192 206 189 218 148 193 103 74 133 219 149 0.996 20.41 -11.4 89 88 89 88 217 35.4 5.258 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7746 2001.1 2.9 scans 90% TIC 0.82% 0.229% 1396 1.2 339 121539 0.235% 4273730 3836154 4369413 1-3 0.995 20.27 40.9 87 89 96 99 322 21.3 0.394 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1038 C16:0 21.1418 2031.9 3.0 scans 98% 313 m/z 0.038% 3.43% 1431 0.6 1280 2611516 63779647 63778971 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 57 133 69 118 74 201 116 315 269 1.000 20.62 43.6 94 99 99 100 328 140.8 1.210 0.525 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6563 2075.2 2.7 scans 73% 305 m/z 2.1% 0.0541% 1480 1.1 169 46816 1007313 980860 3-1 18: 305 217 147 318 191 306 265 319 218 307 192 432 148 320 433 291 367 219 0.996 21.75 -7.7 94 93 90 93 507 11.4 0.453 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2666 2127.5 >3 scans 71% TIC 2.6% 0.0527% 1538 1.3 158 38168 0.113% 979858 979858 2101037 0-0 0.992 22.33 -5.5 96 95 94 95 342 15.0 0.903 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1040 Phytol 22.6096 2157.4 2.9 scans 90% 143 m/z 0.17% 0.248% 1570 1.0 353 581895 4625732 4462369 4-1 17: 143 73 75 144 123 81 55 145 124 95 82 103 74 97 83 96 68 0.998 22.08 45.9 82 84 91 96 181 0.0 0.000 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1042 C18:2 23.0452 2195.5 3.8 scans 88% 75 m/z 0.23% 1.04% 1612 1.0 626 421858 4.72% 19416303 18603682 87760120 2-0 20: 75 337 67 81 55 95 129 82 79 96 117 68 54 80 262 69 109 338 150 110 0.983 22.53 44.7 90 95 97 98 352 36.4 0.338 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1410 2204.0 3.5 scans 95% 75 m/z 0.055% 4.82% 1621 0.5 1410 1799524 5.64% 89800005 87013377 104865906 0-3 20: 75 79 73 95 67 93 108 81 80 129 55 335 91 107 117 94 121 77 149 135 0.985 23.12 2.2 99 98 99 99 350 94.8 0.452 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.7 scans 93% 341 m/z 0.16% 0.724% 1645 0.9 637 613844 13473398 12771770 1-1 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 201 74 343 297 116 1.000 22.89 45.5 94 99 99 100 356 78.7 1.526 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7028 2255.4 2.8 scans 17% 163 m/z 4.0% 0.00942% 1674 1.1 69 24724 175245 173907 2-0 4: 163 331 164 165 0.733 23.72 -1.5 87 91 64 90 331 17.0 6.047 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1018 myo-Inositol 25.2138 2397.2 3.1 scans 79% TIC 0.79% 0.154% 1818 1.0 275 125835 0.266% 2864628 2750358 4945803 2-1 0.977 25.21 0.4 99 98 96 99 470 19.0 0.480 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6147 2436.8 3.1 scans 73% 91 m/z 0.43% 0.100% 1856 1.3 215 227314 1872943 1807108 1-3 20: 91 117 207 194 92 115 65 208 193 312 104 77 103 118 78 51 116 128 179 102 0.968 25.61 0.5 99 98 97 99 312 25.1 1.365 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2954 2504.4 >6 scans 36% TIC 1.9% 0.0288% 1921 0.7 121 52108 0.0619% 536467 440661 1150922 4-0 0.938 25.86 43.7 85 89 87 96 361 6.3 0.000 0.439 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5564 2531.3 2.8 scans 41% 512 m/z (218) 1.2% 0.0743% 1945 1.1 192 80156 1381819 1381819 0-0 16: 512 455 247 513 456 248 483 349 263 514 457 423 484 249 497 235 0.964 26.57 -1.8 93 95 87 95 512 59.5 9.634 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9289 2569.8 2.7 scans 91% 371 m/z 0.056% 1.33% 1981 0.8 858 1771242 24795686 24144172 1-1 20: 371 73 372 147 57 129 205 203 239 55 71 103 373 459 116 75 145 101 117 85 1.000 26.39 55.2 91 98 98 100 459 104.0 1.472 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN LQC1-N1008 Sucrose 27.4202 2621.3 3.0 scans 30% 361 m/z 1.0% 0.0874% 2028 0.9 201 93303 0.0917% 1625076 1448988 1705001 0-17 10: 361 362 437 363 271 451 438 439 452 364 0.833 27.59 -18.2 96 96 84 96 437 35.8 3.155 -0.171 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7281 2764.1 2.6 scans 92% 399 m/z 0.096% 0.812% 2152 0.7 670 1037918 15113002 14820672 0-1 20: 399 400 73 147 57 129 205 203 55 401 103 487 71 116 145 75 101 117 85 267 0.999 28.19 60.2 90 98 98 100 487 82.2 1.506 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN SQUALENE-N1017 Squalene STD 29.0806 2803.8 3.4 scans 48% TIC 1.2% 0.0237% 2185 1.6 149 80598 0.0364% 441382 441382 676794 0-0 0.975 29.09 -1.3 81 81 91 81 410 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1034 Nonacosane 29.5078 2851.8 2.8 scans 57% 57 m/z 0.76% 0.0866% 2226 0.9 218 130128 1611110 1370225 3-10 19: 57 71 85 55 56 99 365 83 97 70 113 127 84 393 111 58 366 141 364 0.991 29.50 0.3 97 97 98 97 408 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8308 2888.2 2.8 scans 71% 57 m/z 0.47% 0.148% 2257 1.0 280 210783 0.150% 2760007 2598920 2788987 1-2 19: 57 71 85 55 99 97 56 83 70 113 127 84 111 98 141 58 86 72 112 0.992 29.83 0.5 99 98 99 98 408 15.1 0.292 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4137 2956.7 3.6 scans 58% 73 m/z (204) 0.82% 0.229% 2312 0.9 285 120699 0.245% 4257920 3740232 4555345 22-1 20: 73 147 194 427 103 411 206 117 515 428 145 133 106 74 75 158 143 148 412 307 0.981 30.36 6.6 84 86 89 87 529 10.8 0.143 0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4621 2962.5 2.9 scans 55% 57 m/z 0.56% 0.123% 2317 0.9 252 176910 0.138% 2302773 2159681 2565868 2-1 14: 57 71 56 85 393 99 97 70 113 392 394 84 58 365 0.995 30.46 -0.1 97 97 98 97 393 54.4 4.662 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2050 3050.7 2.8 scans 54% 57 m/z 0.33% 0.211% 2387 1.1 339 294719 0.229% 3931597 3749363 4257853 4-2 18: 57 71 85 55 99 56 83 97 393 113 70 127 141 84 421 58 86 394 0.976 31.21 -0.8 97 97 98 98 393 46.8 1.904 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1048 Hentriacontane 31.5186 3088.0 3.0 scans 79% 57 m/z 0.10% 0.764% 2417 0.9 615 956994 14221149 13712860 0-4 20: 57 71 85 55 99 83 69 97 56 113 70 127 111 84 141 98 58 155 86 112 0.998 31.53 -1.5 99 98 100 98 436 31.7 0.265 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8142 3123.1 2.8 scans 80% 502 m/z 0.10% 0.667% 2445 0.9 594 996937 12408007 12401097 0-1 17: 502 237 503 73 236 238 504 57 277 221 208 223 74 239 505 193 222 0.991 31.79 2.7 100 99 97 100 502 283.6 22.828 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9352 3137.4 3.1 scans 57% 329 m/z 1.0% 0.231% 2457 0.9 333 92125 4303708 4110366 1-1 11: 329 129 368 458 353 330 328 145 369 255 459 0.991 31.87 8.0 94 93 94 96 458 46.3 1.932 0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1046 3157.6 3.1 scans 20% 57 m/z 1.0% 0.0576% 2473 1.1 187 94184 0.102% 1072434 1058963 1896511 0-1 15: 57 71 56 85 421 99 420 422 70 97 113 127 84 58 86 0.946 32.11 -0.6 94 95 95 95 421 39.3 4.431 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1004 Campesterol 32.7801 3237.8 3.9 scans 61% TIC 0.47% 0.534% 2537 1.0 501 212519 9943835 9435401 1-1 0.850 32.21 67.7 85 96 90 98 472 68.8 1.880 0.570 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1002 Stigmasterol 32.9685 3260.2 2.9 scans 28% 309 m/z 0.52% 0.336% 2555 0.9 409 192090 6265635 5838742 1-2 16: 309 665 310 574 295 294 666 308 311 236 487 280 323 439 307 349 0.407 32.42 65.3 84 98 43 96 665 29.4 0.516 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1046 Stigmasterol 32.9748 3260.9 3.2 scans 78% 83 m/z (309) 0.25% 1.03% 2556 0.8 674 393103 19332000 19332000 0-0 18: 83 129 55 255 484 394 81 75 133 159 145 105 119 97 351 107 95 355 0.997 32.98 -0.9 96 96 98 98 665 4.5 0.000 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0937 3275.0 2.9 scans 67% 57 m/z 0.13% 0.648% 2567 0.9 556 754200 12065046 10896459 1-8 19: 57 71 85 55 99 83 97 56 113 70 127 84 111 141 98 155 112 58 72 0.987 33.10 -0.4 91 89 98 92 515 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN WTF2-N1034 b-Sitosterol 33.4735 3320.1 3.4 scans 73% 129 m/z 0.27% 0.950% 2603 0.7 669 364882 1.06% 17673495 16856410 19708840 2-3 17: 129 357 396 486 381 95 75 57 119 358 121 107 397 145 105 356 159 0.998 32.88 70.8 86 98 99 99 486 91.4 1.865 0.597 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5851 3333.4 3.4 scans 38% 386 m/z 1.6% 0.239% 2613 1.0 315 58852 0.313% 4451565 4055211 5819686 4-11 7: 386 296 387 281 257 371 388 0.970 33.58 0.1 92 91 92 97 505 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7397 3351.7 3.5 scans 46% 218 m/z 0.27% 0.371% 2628 0.9 393 369585 6899881 6452001 6-2 5: 218 203 219 190 189 0.888 34.08 -40.7 86 90 92 96 498 24.0 0.373 -0.342 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8850 3369.0 3.4 scans 4.6% 441 m/z 3.3% 0.0159% 2642 1.0 80 30082 0.0179% 297109 265075 332819 3-1 6: 441 442 308 646 443 647 0.843 33.80 10.6 92 94 73 94 646 14.5 3.268 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5752 3451.0 3.9 scans 6.1% 596 m/z 1.5% 0.0490% 2708 1.0 134 65479 911174 908342 0-2 11: 596 597 598 316 302 318 315 599 303 300 370 0.837 34.47 12.3 95 96 84 97 596 72.7 29.601 0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN EXBLK5S-N1006 Contamination 6.3711 1048.3 1.7 scans 63% 207 m/z 0.91% 0.0332% 27 1.1 171 109857 735485 697402 1-1 13: 207 295 208 209 296 191 297 279 193 177 189 210 192 0.837 6.63 -15.0 97 96 87 97 295 49.9 8.471 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1192 Contamination 8.0020 1144.9 2.2 scans 98% 73 m/z 0.079% 0.638% 182 0.9 676 1262183 14138337 13887286 5-0 20: 73 147 133 220 235 59 148 146 72 86 74 89 160 103 75 100 149 131 134 236 0.996 7.99 0.7 99 98 97 98 235 136.9 4.109 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1188 Contamination 8.3093 1163.1 2.2 scans 75% 281 m/z 3.5% 0.0130% 211 1.1 98 28534 288262 283118 2-0 13: 281 147 369 282 283 370 371 148 207 265 249 149 117 0.906 8.41 -6.3 94 93 67 97 369 27.4 7.776 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1186 Phosphate 8.5292 1176.2 2.2 scans 98% 241 m/z 0.046% 0.579% 232 1.0 658 2139967 12842512 12842512 0-0 20: 241 242 133 73 211 163 256 243 195 135 59 98 89 147 119 75 137 134 121 257 1.000 8.56 -1.8 100 99 99 100 299 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1180 Benzoic acid 9.6897 1244.4 2.6 scans 60% 179 m/z 6.8% 0.00565% 342 1.3 58 14566 0.00769% 125303 125303 170280 0-0 6: 179 105 135 77 180 51 1.000 9.76 -4.1 95 96 88 96 194 9.1 2.421 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN VEN77_S6-N1002 Glycerol 10.0485 1265.4 4.5 scans 89% 299 m/z 0.017% 3.46% 377 0.4 1128 5880459 76632334 75980470 1-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 135 74 302 75 59 225 131 0.948 10.09 -2.6 100 99 97 99 299 666.2 35.079 -0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LACTIC~1-N1034 Glycerol 10.0548 1265.8 2.5 scans 8.2% 147 m/z (299) 0.23% 0.226% 377 0.6 343 417439 5019671 4751086 4-0 20: 147 205 117 103 218 206 148 204 149 129 101 219 203 118 175 116 217 293 220 186 0.639 10.11 -3.2 88 95 58 93 293 25.9 0.569 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5315 1293.7 2.6 scans 38% 147 m/z 1.9% 0.0146% 422 1.4 95 51202 0.0329% 323279 300655 728505 1-1 10: 147 73 245 148 149 115 74 133 143 246 0.644 10.60 -4.1 91 92 82 92 245 23.0 5.924 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6777 1302.3 3.3 scans 77% TIC 1.1% 0.0855% 436 0.8 199 83402 1894148 1697808 2-1 0.845 10.73 -3.3 98 97 96 99 209 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1168 Glyceric acid 10.9597 1319.2 2.4 scans 64% 73 m/z 5.5% 0.00834% 463 1.1 78 18000 0.0125% 184769 177251 276788 1-0 13: 73 189 147 292 103 205 293 133 102 190 148 74 117 0.914 11.05 -5.7 86 86 82 88 292 23.0 8.680 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0197 1322.9 2.5 scans 76% 184 m/z 2.5% 0.0235% 469 0.9 124 38543 0.0263% 521828 514797 582361 1-0 20: 184 134 285 73 174 77 86 100 59 185 286 227 172 135 178 175 186 287 110 130 0.947 11.06 -2.6 98 97 93 98 285 36.8 8.857 -0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1162 Fumaric acid 11.2880 1339.0 >3 scans 73% TIC 5.1% 0.00538% 494 1.9 66 19302 3.60% 119174 119174 79714829 0-0 0.967 11.39 -6.3 94 94 80 94 245 38.2 32.988 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3901 1345.2 2.9 scans 16% 57 m/z 0.34% 0.130% 504 1.0 261 292289 0.165% 2879197 2741785 3653596 5-0 20: 57 97 115 145 127 69 129 111 59 109 128 72 71 98 87 201 113 174 114 136 0.992 11.45 -3.3 93 92 89 95 145 76.3 8.549 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4480 1348.6 4.6 scans 97% TIC 0.014% 4.63% 510 0.3 1265 7057580 102591253 98189950 2-1 0.995 10.96 29.6 96 97 96 99 161 336.2 7.070 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1146 Malic acid 13.4629 1473.2 2.4 scans 97% 73 m/z 0.044% 1.00% 701 0.9 818 2248101 22349176 22036278 1-0 20: 73 147 233 245 133 189 148 75 190 74 191 55 175 101 335 149 234 59 217 117 1.000 13.62 -9.6 100 99 99 99 350 19.8 0.059 -0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9511 1504.1 2.8 scans 54% 156 m/z 4.4% 0.00609% 747 1.0 58 22453 134880 134880 0-0 4: 156 157 258 230 0.993 14.11 -10.6 91 91 83 91 273 0.0 0.000 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2668 1525.1 2.6 scans 52% 263 m/z 1.0% 0.0292% 777 0.9 132 92566 647201 647201 0-1 15: 263 264 278 447 265 448 279 207 335 91 449 247 105 128 191 0.966 14.33 -3.9 82 76 81 95 278 32.1 5.888 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5635 1544.7 2.6 scans 66% 73 m/z 2.9% 0.0179% 806 0.9 104 34008 0.0192% 396668 376520 425146 1-1 20: 73 292 147 220 205 293 217 103 117 221 294 74 149 133 199 319 130 131 206 102 0.992 14.62 -3.9 89 88 84 90 409 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6635 1551.4 2.5 scans 47% 174 m/z 7.2% 0.00332% 815 0.9 46 13828 73670 73670 0-0 5: 174 175 86 176 100 1.000 14.16 33.1 84 88 72 88 250 9.3 4.011 0.498 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1044 Dodecanol 14.7182 1555.0 2.6 scans 72% 243 m/z 2.0% 0.0229% 820 0.9 117 48960 507978 495418 0-1 14: 243 244 103 89 97 83 245 61 101 59 76 111 115 67 1.000 14.24 31.6 93 95 88 97 243 60.8 27.025 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1807 1654.4 2.9 scans 70% TIC 1.3% 0.0218% 959 2.0 118 75890 0.0627% 483668 483668 1388367 0-0 0.909 16.28 -6.7 96 95 88 98 392 17.3 2.161 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5322 1678.8 3.0 scans 61% 55 m/z 3.5% 0.0177% 993 1.2 94 27880 0.0192% 392005 310025 425146 0-3 13: 55 97 83 56 70 82 68 98 140 96 125 67 81 0.969 16.63 -6.6 86 86 83 86 210 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1010 Glycerol-P 17.4613 1745.6 2.5 scans 96% 357 m/z 0.070% 1.41% 1081 0.8 952 1427424 31362712 30667157 1-1 20: 357 299 73 358 147 315 300 445 370 211 103 101 359 133 301 129 256 387 218 131 0.996 16.97 36.1 96 99 99 100 445 147.8 2.413 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN TAB_REP6-N1048 Citric acid 18.2294 1801.7 2.8 scans 87% TIC 0.74% 0.0899% 1154 1.3 224 133881 0.101% 1991905 1872721 2236444 0-1 0.989 18.24 -1.1 98 96 94 99 465 29.2 1.691 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4166 1816.0 3.9 scans 88% 73 m/z 0.030% 4.37% 1172 0.5 1336 3289525 96821593 91201408 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 118 78 58 133 66 213 77 90 121 0.937 17.91 37.8 95 99 93 99 327 129.3 0.939 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1012 Phytol 18.5450 1825.8 2.8 scans 97% 68 m/z 0.10% 1.34% 1184 0.8 878 974129 29872956 28892980 1-1 20: 68 95 82 57 69 55 123 81 67 83 97 71 96 109 124 111 56 79 110 53 1.000 18.04 37.7 95 98 99 99 278 50.0 0.324 0.501 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6408 1833.1 2.7 scans 66% 285 m/z (70) 1.3% 0.0617% 1193 1.0 185 73958 1.02% 1368334 1192498 22585868 13-1 17: 285 117 75 132 129 145 286 131 118 300 61 201 287 116 130 76 241 0.962 18.73 -6.6 94 96 84 96 300 17.6 0.903 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1002 Phytol 18.8min 18.8417 1848.4 2.6 scans 91% 82 m/z 0.87% 0.159% 1212 1.2 314 114094 3527253 3410890 1-1 20: 82 81 95 68 57 123 69 55 83 67 79 96 71 124 97 109 56 53 110 278 0.994 18.84 0.1 97 96 98 96 278 35.6 1.283 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1072 Fructose 18.9364 1855.6 2.6 scans 88% 73 m/z 0.43% 0.137% 1221 1.0 289 232005 3042416 2879023 4-1 20: 73 103 307 217 147 308 277 218 133 74 104 309 189 205 117 364 89 219 148 172 0.998 19.03 -7.4 94 93 94 94 364 27.6 0.911 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0858 1867.0 2.8 scans 90% 81 m/z 0.45% 0.329% 1235 1.0 426 220170 7300046 7179744 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 96 97 109 124 278 53 111 56 0.999 18.58 38.6 93 97 98 99 278 54.8 1.659 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1068 Galactopyranose 19.2079 1876.3 >2 scans 72% TIC 0.85% 0.0316% 1247 0.8 176 116810 1.45% 700441 700441 32107362 0-0 0.984 19.32 -8.2 92 91 91 92 435 10.4 0.349 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1064 Mannose 19.2647 1880.7 2.7 scans 97% 73 m/z 0.057% 1.42% 1252 0.8 882 1730985 31447839 30837530 4-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 148 129 161 207 157 189 0.999 19.45 -14.5 99 98 99 99 319 315.5 12.805 -0.190 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN TAB_REP6-N1059 Glucose 19.5057 1899.1 2.7 scans 90% 73 m/z 0.24% 0.292% 1275 1.1 407 403063 0.308% 6486872 6258551 6820046 1-0 20: 73 319 205 147 160 103 320 217 321 206 133 74 117 229 148 89 207 189 161 157 0.992 19.55 -3.6 96 95 95 96 376 13.9 0.117 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9055 1931.2 2.7 scans 71% 204 m/z 0.72% 0.0717% 1313 1.2 203 138374 1589116 1442886 2-2 15: 204 217 205 159 147 129 206 218 103 189 191 160 219 231 203 1.000 19.91 -0.5 90 88 91 91 361 6.3 0.098 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2717 1960.6 2.6 scans 80% 204 m/z (71) 0.40% 0.114% 1348 1.1 264 246420 2544092 2397283 2-3 20: 204 73 191 205 147 217 192 206 129 218 189 74 117 103 193 133 148 219 305 149 0.997 20.41 -11.4 94 95 94 95 217 58.4 4.900 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7757 2001.1 2.8 scans 94% 75 m/z 0.36% 0.423% 1396 1.1 505 275475 0.445% 9382796 9180739 9853639 1-1 20: 75 73 79 67 93 95 91 80 108 129 55 81 94 121 307 77 107 117 135 105 0.999 20.27 40.9 84 85 95 98 322 33.4 0.438 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1038 C16:0 21.1503 2032.6 3.3 scans 97% 313 m/z 0.030% 3.87% 1432 0.4 1350 3273757 85847092 82155891 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 57 118 201 69 315 269 74 116 1.000 20.62 44.3 94 99 99 100 328 153.4 1.293 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6564 2075.2 2.8 scans 93% TIC 0.30% 0.321% 1480 0.7 415 323497 0.404% 7112361 7112361 8945775 0-0 0.997 21.75 -7.7 98 98 96 98 507 26.5 0.406 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2666 2127.5 >3 scans 70% TIC 1.5% 0.0710% 1538 1.3 192 64484 0.150% 1573354 1573354 3321451 0-0 0.989 22.33 -5.5 96 95 94 96 342 19.4 1.027 -0.063 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1040 Phytol 22.6097 2157.4 3.0 scans 89% 143 m/z 0.11% 0.322% 1570 1.0 409 838334 7144687 6669654 5-1 18: 143 73 75 144 123 81 57 55 145 124 95 103 82 83 67 97 74 68 0.997 22.08 45.9 81 83 90 96 181 0.0 0.000 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1042 C18:2 23.0390 2194.9 5.8 scans 96% 73 m/z (342) 0.17% 1.63% 1611 1.4 683 585100 7.23% 36306186 33596453 160093948 5-0 12: 73 132 169 340 197 205 141 102 140 214 115 175 0.991 22.53 44.1 89 95 97 99 352 39.5 0.335 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1610 2205.9 4.4 scans 93% 79 m/z 0.043% 6.60% 1623 0.3 1562 2293418 7.46% 146150815 132647176 165186840 0-3 20: 79 75 73 95 93 67 108 81 80 91 129 107 335 55 94 121 117 135 149 77 0.995 23.12 4.1 98 97 99 97 350 110.7 0.503 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1036 C18:0 23.3988 2227.6 2.8 scans 92% 341 m/z 0.13% 0.756% 1645 0.8 666 722533 16755226 16119598 1-1 20: 341 117 73 132 75 129 145 342 55 356 57 133 118 131 69 343 201 74 116 83 1.000 22.89 45.8 94 99 99 99 356 82.6 1.539 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1018 myo-Inositol 25.2117 2397.0 3.3 scans 78% TIC 0.61% 0.190% 1818 1.1 307 163510 0.307% 4222669 4031706 6797903 1-8 0.965 25.21 0.2 98 97 96 100 470 20.5 0.446 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6147 2436.8 3.1 scans 61% 91 m/z 0.56% 0.0698% 1856 1.2 186 178525 1547567 1431637 2-4 18: 91 117 194 207 92 115 208 65 193 312 104 51 118 78 116 178 128 195 0.936 25.61 0.5 96 96 96 98 312 21.4 1.323 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2966 2504.5 3.0 scans 41% 204 m/z 1.2% 0.0388% 1921 1.0 148 80590 0.0487% 859259 711965 1078364 15-0 8: 204 217 205 219 206 218 291 220 0.952 25.86 43.8 87 91 92 98 361 8.0 0.000 0.441 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5554 2531.2 2.7 scans 36% 512 m/z 1.4% 0.0558% 1945 1.1 179 70256 1237505 1223434 0-1 18: 512 455 247 513 456 514 483 248 263 349 457 497 235 249 515 179 409 423 0.964 26.57 -1.9 93 93 79 94 512 62.9 12.366 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9300 2569.9 2.7 scans 92% 371 m/z 0.041% 1.48% 1981 0.7 952 2390971 32818874 31793401 1-1 20: 371 372 73 147 129 57 205 239 203 103 55 459 71 373 116 75 145 85 117 101 1.000 26.39 55.3 91 98 98 100 459 117.5 1.528 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN LQC1-N1010 Sucrose 27.4192 2621.2 2.8 scans 80% 361 m/z 0.12% 0.556% 2027 1.0 565 770998 0.659% 12332848 11808065 14592242 1-9 20: 361 73 217 362 437 147 363 103 271 218 451 169 438 243 319 191 74 364 439 452 0.958 27.58 -17.0 100 99 97 99 437 101.2 3.212 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7282 2764.1 2.7 scans 93% 399 m/z 0.073% 0.899% 2152 0.8 738 1359204 19917496 19517343 1-0 20: 399 73 400 147 129 57 205 203 55 103 71 401 487 116 75 145 101 117 85 69 1.000 28.19 60.2 89 98 98 100 487 90.8 1.516 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN SQUALENE-N1017 Squalene STD 29.0796 2803.7 3.4 scans 50% TIC 0.98% 0.0289% 2185 1.6 164 101295 0.0427% 642006 595957 945506 6-0 0.988 29.09 -1.4 83 83 93 83 410 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1034 Nonacosane 29.5058 2851.6 2.9 scans 63% 57 m/z 0.57% 0.103% 2226 1.0 248 175437 2294382 2042344 2-9 18: 57 71 85 55 99 56 365 83 97 113 70 127 141 84 393 364 58 86 0.995 29.50 0.1 98 98 98 98 408 7.3 0.086 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8309 2888.2 2.9 scans 75% 57 m/z 0.35% 0.178% 2257 1.0 321 285514 3942669 3714326 1-4 20: 57 71 85 55 99 69 56 83 97 70 113 127 84 141 98 111 58 86 140 72 0.995 29.83 0.5 99 98 99 100 408 17.9 0.312 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4612 2962.4 3.0 scans 61% 57 m/z 0.49% 0.133% 2317 0.8 267 203588 0.151% 2966727 2827034 3343594 0-1 16: 57 71 56 85 393 83 99 70 97 392 113 394 141 84 58 365 0.992 30.46 -0.2 98 97 97 98 393 60.3 5.111 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2061 3050.8 2.9 scans 71% 57 m/z 0.26% 0.247% 2387 1.0 376 373158 5477692 5190870 3-1 20: 57 71 85 55 99 56 83 393 69 97 113 70 127 111 84 141 421 394 155 98 0.990 31.21 -0.7 99 99 99 99 393 55.4 2.168 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1048 Hentriacontane 31.5228 3088.5 3.1 scans 85% 57 m/z 0.080% 0.934% 2417 0.7 690 1237196 20684856 20348764 1-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 72 0.999 31.53 -1.0 99 98 100 98 436 38.8 0.316 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8164 3123.3 2.9 scans 79% 502 m/z 0.097% 0.603% 2445 0.8 580 1024297 13373596 12196341 1-1 18: 502 237 503 73 236 238 504 57 277 221 223 71 239 55 74 208 505 193 0.996 31.79 2.9 100 99 98 100 502 278.1 23.002 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9374 3137.7 3.0 scans 68% 329 m/z 0.67% 0.296% 2457 0.9 412 149040 6560952 6362220 1-1 14: 329 129 368 353 458 95 121 330 145 107 105 328 119 369 0.991 31.87 8.3 96 95 95 97 458 57.6 1.959 0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1057 3157.7 3.1 scans 21% 57 m/z 0.93% 0.0583% 2473 1.1 193 107190 0.118% 1291611 1238198 2612875 1-2 16: 57 71 56 85 421 420 99 83 70 422 97 113 393 58 84 72 0.957 32.11 -0.5 94 96 96 95 421 41.7 4.651 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1004 Campesterol 32.7813 3237.9 3.3 scans 63% 129 m/z 0.34% 0.593% 2537 0.8 548 291123 13145907 12611140 1-1 19: 129 343 382 472 367 95 75 344 107 121 119 81 145 105 383 342 159 93 91 0.898 32.21 67.8 85 96 85 98 472 81.1 2.189 0.571 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1046 Stigmasterol 32.9822 3261.8 3.3 scans 87% 83 m/z (309) 0.15% 1.56% 2556 0.8 867 659344 34725154 34203519 1-0 20: 83 129 55 255 69 394 73 484 81 75 133 159 119 145 105 107 95 93 97 351 0.998 32.98 -0.0 96 96 98 99 665 5.1 0.000 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1052 Hydrocarbon 33.09min 33.0980 3275.5 3.1 scans 78% 57 m/z 0.098% 0.757% 2567 0.8 635 1012522 16776283 16377421 1-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 155 112 58 82 0.990 33.10 0.1 87 84 97 93 515 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN WTF2-N1034 b-Sitosterol 33.4768 3320.5 3.3 scans 78% 129 m/z 0.24% 0.996% 2603 0.7 698 413947 1.15% 22058524 20616004 25464459 12-3 19: 129 357 396 486 381 95 75 121 358 107 397 57 145 119 356 105 81 159 55 0.999 32.88 71.2 86 97 98 99 486 99.3 2.027 0.600 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.5872 3333.6 3.2 scans 52% 386 m/z 1.1% 0.282% 2614 1.0 370 84237 0.338% 6247969 5907571 7484337 2-8 6: 386 296 281 387 257 371 0.986 33.58 0.3 93 91 94 98 505 6.6 0.000 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7419 3352.0 3.7 scans 42% 218 m/z (204) 0.25% 0.314% 2628 0.9 361 397554 6970043 6426825 1-4 12: 218 203 219 190 189 135 175 119 121 94 136 137 0.922 34.08 -40.4 84 91 84 93 498 22.9 0.402 -0.340 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8871 3369.3 3.3 scans 16% 441 m/z 1.2% 0.0369% 2642 1.0 134 77359 819188 819188 0-1 5: 441 442 646 308 443 0.922 33.80 10.9 92 92 85 94 646 21.2 2.485 0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5752 3451.0 4.0 scans 19% 596 m/z 0.90% 0.119% 2708 1.1 218 109968 2637768 2534215 1-1 12: 596 597 598 316 302 599 315 300 330 287 343 301 0.917 34.47 12.3 94 93 63 98 596 91.1 17.431 0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 1.8 scans 72% 207 m/z 0.60% 0.0296% 27 1.1 177 164283 0.0365% 881294 856694 1085808 3-0 17: 207 73 295 208 209 191 296 297 279 193 210 247 192 189 177 265 119 0.967 6.63 -15.0 98 97 93 97 295 58.1 10.724 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9072 1139.3 2.9 scans 51% 147 m/z 4.3% 0.00457% 173 1.6 68 22834 0.0861% 136222 136222 2561317 0-0 6: 147 73 148 66 149 72 0.935 7.79 6.7 85 86 78 87 219 7.9 1.374 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1192 Contamination 8.0661 1148.7 2.3 scans 94% 147 m/z 0.26% 0.165% 188 1.0 355 383382 0.177% 4934607 4290643 5265425 11-1 19: 147 73 133 220 235 148 146 59 72 86 74 160 149 89 100 103 131 134 236 1.000 7.99 4.5 97 96 97 97 235 72.5 4.182 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1188 Contamination 8.3154 1163.5 2.2 scans 74% 281 m/z 1.6% 0.0200% 212 1.0 135 60780 596403 596283 1-0 18: 281 147 369 282 283 370 207 371 265 148 249 149 284 191 193 267 251 266 0.934 8.41 -5.9 97 96 79 99 369 39.2 8.479 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1186 Phosphate 8.5817 1179.3 2.2 scans 95% 241 m/z 0.13% 0.151% 237 1.2 369 760488 4500167 4289571 1-1 20: 241 242 133 211 73 163 243 256 135 195 98 59 89 147 119 137 121 164 134 212 1.000 8.56 1.3 100 99 99 100 299 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1180 Benzoic acid 9.7370 1247.2 2.6 scans 47% 179 m/z (217) 4.4% 0.00673% 347 1.0 68 22562 200230 175343 2-2 8: 179 105 135 77 180 194 181 51 0.950 9.76 -1.3 92 94 87 95 194 10.7 2.449 -0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN VEN77_S6-N1002 Glycerol 10.0926 1268.0 5.1 scans 89% 299 m/z 0.011% 4.38% 381 0.3 1329 8430070 130513372 130020532 1-0 20: 299 73 300 314 301 133 283 207 315 211 193 191 316 302 135 74 225 75 284 115 0.946 10.09 -0.0 99 98 97 99 299 756.6 32.599 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LACTIC~1-N1034 Glycerol 10.1021 1268.5 2.7 scans 9.3% 205 m/z (299) 0.17% 0.316% 382 0.3 404 561293 9406531 8681533 4-1 17: 205 147 117 103 218 206 148 204 129 203 219 101 71 85 217 175 293 0.669 10.11 -0.5 83 91 51 93 293 29.8 0.545 -0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7145 1304.5 5.5 scans 87% TIC 1.0% 0.0605% 440 1.4 200 99778 0.149% 1802239 1781002 4432476 0-1 0.988 10.73 -1.1 98 98 93 99 209 0.0 0.000 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1168 Glyceric acid 10.9943 1321.3 2.7 scans 51% 73 m/z 4.9% 0.00706% 466 1.5 74 20274 0.00961% 210272 207233 285880 2-0 13: 73 292 147 189 205 103 133 293 102 307 148 190 117 0.901 11.05 -3.6 89 89 85 92 292 22.3 9.087 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0648 1325.6 2.6 scans 55% 184 m/z 4.5% 0.00893% 473 1.0 83 21983 0.0110% 265723 262416 327230 0-5 14: 184 134 285 174 86 77 100 185 59 227 286 135 172 130 0.990 11.06 0.1 91 90 84 92 285 26.3 9.993 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1162 Fumaric acid 11.3258 1341.3 2.3 scans 24% 245 m/z 7.4% 0.00335% 498 1.0 55 13473 99742 99742 0-0 2: 245 246 0.879 11.39 -4.0 86 87 49 89 245 30.2 30.589 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4257 1347.3 2.7 scans 12% 57 m/z (207) 0.36% 0.109% 508 1.2 243 271316 0.154% 3253112 2739666 4581217 6-0 19: 57 97 115 145 127 129 69 111 109 59 72 128 71 98 87 201 114 113 110 0.998 11.45 -1.2 94 96 93 96 145 73.4 9.152 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1024 Contamination 10.96min 11.5026 1351.9 5.5 scans 96% 84 m/z 0.011% 5.31% 515 0.3 1398 8872700 158037568 157877088 1-0 20: 84 133 162 161 119 92 118 65 82 85 51 130 78 134 117 55 63 91 120 77 0.994 10.96 32.9 95 97 96 99 161 376.6 7.262 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1146 Malic acid 13.4775 1474.1 2.6 scans 94% TIC 0.11% 0.333% 702 1.0 490 868434 0.371% 9925978 9803811 11036568 1-1 0.987 13.62 -8.7 100 99 98 99 350 11.7 0.057 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1138 Pyroglutamic acid 13.9742 1505.6 2.7 scans 18% 156 m/z 6.2% 0.00290% 750 0.9 45 15895 86517 86517 0-0 3: 156 157 258 0.972 14.11 -9.1 82 81 75 88 273 0.0 0.000 -0.136 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2867 1526.4 2.6 scans 50% 263 m/z (71 173) 0.75% 0.0293% 779 0.9 145 131769 872697 857456 0-1 16: 263 264 278 447 265 279 175 449 207 247 149 128 335 119 191 105 0.951 14.33 -2.6 81 79 83 98 278 38.3 6.993 -0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5792 1545.8 2.7 scans 36% 73 m/z 3.9% 0.0105% 807 1.0 86 25086 0.0114% 314431 283262 339129 1-1 15: 73 292 147 205 220 293 103 217 148 294 221 149 133 74 143 0.908 14.62 -2.8 82 81 76 84 409 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6844 1552.7 2.6 scans 37% 174 m/z 6.1% 0.00302% 817 1.1 47 16391 0.00306% 89838 88527 91029 0-1 5: 174 175 86 176 250 1.000 14.16 34.4 82 86 71 86 250 9.6 4.176 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1044 Dodecanol 14.7370 1556.2 2.6 scans 69% 243 m/z 1.4% 0.0224% 822 1.0 130 69979 668245 636558 1-1 13: 243 244 103 89 97 61 101 245 111 241 115 76 98 0.963 14.24 32.8 92 94 91 97 243 68.9 28.113 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1985 1655.7 3.0 scans 70% TIC 1.1% 0.0192% 961 1.4 129 87873 0.0606% 573696 573696 1802739 0-0 0.963 16.28 -5.4 92 88 82 98 392 17.3 1.797 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5489 1680.0 2.9 scans 73% TIC 1.8% 0.0195% 994 1.0 138 54540 0.0866% 582313 582313 2576191 0-0 1.000 16.63 -5.4 93 92 95 92 210 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1010 Glycerol-P 17.4832 1747.2 2.7 scans 97% 357 m/z 0.040% 1.96% 1083 0.7 1176 2479570 58441997 57359221 0-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 129 387 256 218 328 1.000 16.97 37.7 96 99 99 99 445 186.2 2.507 0.515 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4365 1817.5 4.1 scans 88% 73 m/z 0.029% 3.43% 1174 0.5 1284 3351675 102114063 101258932 0-1 20: 73 76 135 119 120 132 149 50 136 62 74 118 78 58 77 133 66 75 213 90 0.937 17.91 39.3 94 99 93 98 327 124.2 0.935 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1012 Phytol 18.5681 1827.5 3.2 scans 96% 68 m/z 0.081% 1.46% 1186 0.6 943 1226278 1.61% 43719475 41904192 47894539 1-1 20: 68 95 82 123 57 55 69 81 67 83 97 71 96 109 124 111 56 79 53 70 1.000 18.04 39.4 94 97 99 99 278 54.7 0.336 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6585 1834.4 2.7 scans 70% 285 m/z (70) 0.87% 0.0716% 1195 1.0 222 114284 2130602 1974524 10-1 16: 285 117 75 132 129 286 145 131 118 300 287 201 116 241 61 257 0.983 18.73 -5.3 95 97 89 97 300 21.3 0.919 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1002 Phytol 18.8min 18.8616 1849.9 2.7 scans 92% 81 m/z 0.47% 0.216% 1214 1.0 398 209820 6432039 6145284 1-3 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 124 97 109 53 56 110 111 0.991 18.84 1.6 97 97 99 97 278 45.5 1.308 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1072 Fructose 18.9521 1856.8 2.6 scans 90% 73 m/z 0.24% 0.188% 1223 1.0 372 410778 5600650 5543658 1-0 20: 73 103 307 217 147 308 218 277 133 309 205 74 104 189 117 364 89 148 172 219 0.996 19.03 -6.2 96 95 96 95 364 35.6 0.915 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1070 Fructose 19.0699 1865.8 2.8 scans 78% 73 m/z 0.30% 0.153% 1234 1.1 330 328203 0.923% 4566479 4204918 27457553 2-0 20: 73 103 307 217 147 308 218 277 309 74 205 104 364 262 133 89 117 148 219 189 0.995 19.19 -9.5 93 92 93 93 554 15.0 0.208 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1057 1868.6 3.5 scans 87% TIC 0.27% 0.564% 1237 0.5 524 359322 1.74% 16793259 16120916 51761800 1-4 0.995 18.58 40.2 92 96 98 99 278 71.7 1.868 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1068 Galactopyranose 19.2204 1877.3 2.7 scans 83% 204 m/z 0.31% 0.104% 1248 1.0 279 321895 0.904% 3115347 2879063 26892338 7-0 19: 204 73 191 147 217 205 206 192 129 218 74 193 189 148 231 103 149 435 219 0.998 19.32 -7.2 96 95 94 95 435 17.2 0.380 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1064 Mannose 19.2804 1881.9 2.5 scans 96% 73 m/z 0.045% 1.21% 1254 0.8 952 2186960 1.24% 36079117 34414131 36887720 2-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 129 189 148 157 207 161 0.999 19.45 -13.3 100 99 99 99 319 345.0 13.145 -0.175 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN TAB_REP6-N1059 Glucose 19.5224 1900.4 2.8 scans 90% 73 m/z 0.20% 0.274% 1277 0.9 438 492743 0.290% 8159419 7940168 8626967 1-1 20: 73 319 205 147 160 103 320 217 321 206 133 74 117 89 229 148 161 207 157 189 0.988 19.55 -2.3 97 96 93 96 376 14.9 0.115 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9243 1932.7 2.8 scans 75% 204 m/z 0.32% 0.113% 1315 1.1 277 308718 3383494 3066664 3-2 17: 204 217 159 205 147 129 206 218 103 133 191 189 160 219 148 243 305 0.959 19.91 1.0 95 93 93 98 361 13.1 0.223 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2863 1961.8 2.7 scans 85% 204 m/z (71) 0.21% 0.184% 1350 1.1 353 463350 5481320 5310731 1-1 19: 204 73 191 147 205 217 192 206 117 218 189 129 74 193 133 103 148 219 149 0.997 20.41 -10.2 95 96 95 97 217 75.6 4.585 -0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7977 2003.0 2.8 scans 94% 75 m/z (221) 0.22% 0.566% 1398 1.0 625 454467 0.594% 16864262 16783052 17670408 2-0 20: 75 73 79 67 93 95 91 108 80 129 55 81 94 307 121 117 77 107 135 145 1.000 20.27 42.8 82 84 94 99 322 40.9 0.428 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1038 C16:0 21.1743 2034.7 4.1 scans 97% 313 m/z 0.024% 4.26% 1434 0.4 1441 4095993 126805888 126769148 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 133 57 69 201 74 315 269 116 1.000 20.62 46.4 94 99 99 100 328 165.0 1.313 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6710 2076.4 2.7 scans 86% 305 m/z (79) 0.46% 0.158% 1481 1.1 335 213866 4715566 4709783 1-0 17: 305 217 147 318 191 306 265 319 218 204 307 432 320 148 433 192 219 0.996 21.75 -6.5 95 96 95 96 507 20.8 0.385 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2823 2128.8 6.9 scans 63% TIC 1.4% 0.0743% 1539 1.1 202 69028 0.152% 2211192 2062446 4521720 0-2 0.992 22.33 -4.2 94 93 92 96 342 18.8 0.865 -0.048 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4044 2139.5 3.0 scans 27% 204 m/z (327) 4.3% 0.00803% 1551 0.9 69 23134 0.00935% 238910 235956 278145 1-1 4: 204 249 205 206 0.856 22.71 -27.0 82 87 78 88 518 0.0 0.000 -0.310 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1040 Phytol 22.6274 2159.0 3.2 scans 88% 143 m/z 0.088% 0.323% 1572 1.1 446 1129714 9633141 9284312 4-1 17: 143 73 75 144 123 81 55 145 124 95 103 97 82 83 74 67 96 0.991 22.08 47.5 80 83 90 96 181 8.2 0.034 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1042 C18:2 23.0599 2196.8 >6 scans 83% 73 m/z (342) 0.12% 1.35% 1613 1.6 681 770769 6.67% 40451458 37203981 198420235 6-0 20: 73 133 74 181 132 229 241 156 192 215 169 155 72 183 59 269 218 195 101 134 0.985 22.53 46.0 86 92 96 99 352 38.2 0.314 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 5.4 scans 88% 79 m/z 0.037% 7.94% 1626 0.2 1567 2673465 236242898 219097610 1-9 20: 79 75 73 95 93 67 108 81 80 91 55 107 94 129 121 335 117 77 135 149 0.961 23.12 6.8 95 95 95 95 350 111.8 0.509 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1036 C18:0 23.4218 2229.7 2.8 scans 90% 341 m/z 0.096% 0.807% 1648 0.7 737 1035797 24029473 22346241 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 343 201 74 297 116 1.000 22.89 47.9 93 99 98 99 356 96.2 1.706 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1004 Prostaglandin 23.7680 2261.3 >4 scans 41% TIC 1.7% 0.0175% 1680 1.1 164 58553 0.216% 521443 521443 6425603 0-0 0.981 23.76 0.9 87 87 78 86 360 13.9 0.713 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1552 2296.7 3.3 scans 38% 204 m/z (333) 0.82% 0.0400% 1717 0.9 150 120903 0.0513% 1190889 1119209 1526081 0-7 14: 204 217 337 205 147 103 206 338 219 218 361 339 203 291 0.972 24.01 13.2 88 90 84 91 490 0.0 0.000 0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1552 2296.7 3.3 scans 43% 204 m/z 0.83% 0.0411% 1717 0.9 160 119082 0.0528% 1225432 1151672 1570703 0-7 14: 204 217 337 205 147 103 206 338 219 218 361 339 203 291 0.773 24.18 -2.4 89 90 82 91 581 0.0 0.000 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1018 myo-Inositol 25.2274 2398.5 3.3 scans 80% TIC 0.29% 0.290% 1819 1.1 427 336837 0.428% 8656115 8292299 12732213 2-0 0.954 25.21 1.7 96 93 93 100 470 29.2 0.466 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6346 2438.8 3.2 scans 43% 91 m/z (171) 0.69% 0.0424% 1858 1.4 153 144212 0.0556% 1263085 1180971 1653998 4-3 18: 91 117 194 207 92 115 208 65 193 104 312 51 179 178 128 102 165 89 0.975 25.61 2.5 94 97 95 96 312 17.6 1.329 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3143 2506.3 3.2 scans 50% 204 m/z 0.62% 0.0638% 1922 1.1 199 160902 0.0715% 1899279 1410603 2126994 14-1 11: 204 73 217 205 147 219 206 218 305 101 306 0.963 25.86 45.6 86 90 91 99 361 10.7 0.288 0.458 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5711 2532.9 2.8 scans 39% 512 m/z (218) 1.1% 0.0580% 1947 1.0 200 89849 1725572 1647832 1-1 17: 512 455 247 513 456 483 514 248 263 349 457 484 497 423 235 409 234 0.955 26.57 -0.2 93 95 86 96 512 65.5 10.682 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9488 2571.9 2.8 scans 92% 371 m/z 0.032% 1.51% 1983 0.7 1026 3099759 45060393 43883316 2-0 20: 371 372 73 147 129 57 205 203 239 55 71 373 103 459 116 145 75 117 85 101 1.000 26.39 57.3 90 98 97 100 459 129.1 1.587 0.555 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN LQC1-N1008 Sucrose 27.4318 2622.5 2.9 scans 72% 361 m/z 0.10% 0.548% 2029 1.0 592 983046 16327120 14487439 1-20 17: 361 217 362 437 147 363 103 271 451 169 438 218 243 319 439 452 364 0.973 27.59 -17.0 99 98 95 99 437 107.8 3.318 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7460 2766.1 2.9 scans 93% 399 m/z 0.056% 0.955% 2154 0.8 786 1773364 28436811 27668123 1-1 20: 399 400 73 147 129 57 205 203 487 401 103 55 71 116 145 75 117 85 101 267 1.000 28.19 62.2 88 97 97 100 487 100.5 1.637 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN SQUALENE-N1017 Squalene STD 29.0984 2805.8 3.4 scans 54% TIC 0.69% 0.0363% 2187 1.7 191 144829 0.0507% 1081572 1081572 1508232 0-0 0.982 29.09 0.7 85 86 93 85 410 8.9 0.219 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1034 Nonacosane 29.5246 2853.7 3.3 scans 61% 57 m/z 0.51% 0.106% 2228 1.1 252 192863 3156008 2780500 2-9 18: 57 71 85 55 99 56 365 83 97 70 113 127 84 393 366 141 58 98 0.990 29.50 2.2 96 95 98 98 408 8.5 0.113 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8497 2890.3 3.3 scans 72% 57 m/z 0.32% 0.164% 2258 1.2 320 312183 4900235 4591288 1-3 20: 57 71 85 55 99 69 83 56 97 70 113 127 84 111 98 141 112 86 155 58 0.993 29.83 2.6 100 99 100 100 408 19.7 0.380 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4368 2959.5 3.3 scans 53% 193 m/z (204) 0.63% 0.168% 2314 1.2 305 156378 5007484 4638552 3-1 14: 193 119 105 163 120 176 194 91 515 171 247 325 106 516 0.979 30.36 9.4 83 84 88 87 529 12.9 0.179 0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4821 2964.9 3.3 scans 61% 57 m/z 0.38% 0.142% 2319 0.7 288 259426 0.167% 4246943 4057672 4967943 0-1 17: 57 71 56 85 393 55 83 99 392 97 70 394 113 84 141 58 365 0.992 30.46 2.3 98 97 98 98 393 67.3 5.438 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2270 3053.3 3.2 scans 73% 57 m/z 0.21% 0.279% 2389 1.0 409 475240 0.297% 8300503 7750000 8835204 2-3 20: 57 71 85 55 99 56 69 83 97 393 113 70 127 111 141 84 421 394 155 98 0.987 31.21 1.8 100 99 99 99 393 60.7 2.200 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1048 Hentriacontane 31.5459 3091.2 3.2 scans 83% 57 m/z 0.064% 0.925% 2420 0.6 749 1558346 27527268 26822868 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 125 0.995 31.53 1.7 100 99 100 100 436 43.8 0.341 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6984 3109.3 7.2 scans 20% 204 m/z 1.3% 0.0154% 2434 1.6 129 75467 0.182% 458310 451760 5414165 0-1 12: 204 598 597 205 337 73 206 191 103 361 338 129 0.888 31.68 2.7 86 88 80 87 597 16.7 1.669 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8394 3126.1 3.2 scans 81% 502 m/z 0.074% 0.623% 2448 0.7 613 1346209 18557901 18201227 0-1 16: 502 237 503 73 236 238 504 57 277 221 223 208 74 239 505 193 0.989 31.79 5.7 100 99 97 100 502 302.3 24.368 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9615 3140.6 3.6 scans 65% 329 m/z 0.66% 0.278% 2459 1.1 391 149485 8294572 7814538 1-1 15: 329 129 368 353 458 330 107 328 105 369 121 119 145 247 159 0.992 31.87 11.2 96 95 95 98 458 57.6 2.175 0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1267 3160.2 3.2 scans 25% 57 m/z 0.67% 0.0654% 2475 1.1 219 148662 0.118% 1947249 1947249 3510283 0-0 17: 57 71 56 85 421 99 83 70 422 97 420 113 127 393 84 58 86 0.977 32.11 2.0 96 97 96 96 421 49.3 5.052 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1004 Campesterol 32.8032 3240.5 3.7 scans 61% 343 m/z 0.28% 0.634% 2539 0.8 570 346578 18885357 16477876 5-1 18: 343 129 382 472 367 95 344 107 121 383 119 145 81 105 342 159 93 91 0.861 32.21 70.4 84 96 85 98 472 88.2 2.388 0.593 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1046 Stigmasterol 33.0095 3265.0 3.4 scans 87% 83 m/z (309) 0.11% 1.59% 2559 0.6 940 843589 47372825 46087763 1-1 19: 83 129 55 255 69 81 394 484 133 75 159 119 145 105 107 93 95 97 351 0.999 32.98 3.2 96 96 98 98 665 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1231 3278.5 3.2 scans 80% 57 m/z 0.077% 0.789% 2570 0.7 690 1284353 23488986 22834649 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 169 0.991 33.10 3.1 89 87 97 93 515 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN WTF2-N1034 b-Sitosterol 33.5040 3323.8 3.7 scans 81% TIC 0.20% 0.843% 2606 0.6 730 499010 1.75% 25105115 24835118 52059282 3-2 0.999 32.88 74.5 85 97 98 99 486 103.5 2.009 0.627 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6145 3336.9 3.4 scans 59% 386 m/z 0.78% 0.311% 2616 1.0 430 127888 9259771 8873618 1-5 8: 386 296 281 387 119 257 159 379 0.985 33.58 3.6 93 91 94 98 505 3.9 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN A-AMYRIN-N1002 a-Amyrin 1TMS STD 33.7691 3355.2 3.8 scans 48% 218 m/z (204) 0.17% 0.340% 2631 1.0 408 565328 10136643 9496754 1-3 11: 218 203 219 190 189 135 121 175 136 94 279 0.941 34.08 -37.2 86 92 86 95 498 27.8 0.465 -0.313 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9091 3371.9 3.4 scans 6.2% 441 m/z 2.2% 0.0122% 2644 1.1 82 43769 365287 363931 0-2 6: 441 442 308 646 443 647 0.579 33.80 13.5 83 82 56 93 646 14.9 3.294 0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN BMN_RE~1-N1066 UNKnp_Disaccharide/Steroid bound compound 34.59min 34.4573 3437.0 4.1 scans 7.0% 505 m/z 7.5% 0.0192% 2696 1.4 95 13180 0.0238% 572739 572739 708006 0-0 5: 505 506 507 491 476 0.719 34.59 -15.6 86 89 60 88 596 0.0 0.000 -0.132 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6025 3454.2 3.8 scans 28% 596 m/z 0.52% 0.0910% 2710 1.1 213 190274 2707426 2678319 1-2 15: 596 597 598 316 599 302 315 318 303 288 342 287 286 370 454 0.962 34.47 15.5 97 97 90 99 596 113.7 28.372 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN EXBLK5S-N1006 Contamination 6.3721 1048.3 1.9 scans 68% 207 m/z (89) 0.61% 0.0238% 27 1.3 175 163001 970497 946013 1-0 16: 207 295 208 209 296 191 297 279 193 189 210 192 177 247 119 263 0.984 6.63 -15.0 96 97 90 97 295 55.2 9.953 -0.253 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9577 1142.3 >7 scans 41% 147 m/z 3.3% 0.00621% 178 2.5 70 29885 0.0951% 253119 253119 3872110 0-0 6: 147 73 148 66 149 74 0.874 7.79 9.7 85 88 82 91 219 8.8 1.555 0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1192 Contamination 8.1166 1151.7 2.2 scans 96% 147 m/z 0.15% 0.210% 193 1.0 453 666529 8569008 7434347 15-0 19: 147 73 133 220 235 148 59 146 72 86 74 89 160 103 100 149 131 134 221 0.998 7.99 7.5 97 96 97 97 235 91.5 4.078 0.128 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1188 Contamination 8.3165 1163.6 2.2 scans 80% 281 m/z 1.2% 0.0194% 212 1.1 150 82171 792693 781753 0-1 17: 281 147 369 282 283 370 265 207 148 249 371 251 191 266 284 193 267 0.995 8.41 -5.8 99 98 83 99 369 43.6 8.410 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1186 Phosphate 8.6216 1181.7 2.2 scans 92% 241 m/z 0.31% 0.0454% 241 1.2 228 317980 1849702 1846274 0-1 18: 241 242 133 211 163 256 243 195 135 98 59 89 119 137 212 121 257 181 0.997 8.56 3.7 100 99 97 99 299 0.0 0.000 0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1180 Benzoic acid 9.7643 1248.8 2.7 scans 36% 179 m/z 5.3% 0.00494% 350 1.0 66 18829 201354 200871 1-0 7: 179 105 135 77 180 51 194 0.939 9.76 0.3 91 90 79 95 194 10.6 2.589 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN VEN77_S6-N1002 Glycerol 10.1221 1269.7 5.5 scans 95% 299 m/z 0.011% 4.07% 384 0.3 1389 8657670 165863627 162477049 1-1 20: 299 300 73 314 147 133 283 205 207 315 211 193 191 117 135 103 74 225 218 75 0.986 10.09 1.7 98 97 93 98 299 742.6 28.708 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7345 1305.7 3.1 scans 90% TIC 1.0% 0.0459% 442 1.0 192 98083 0.147% 1869911 1800365 5985280 0-1 0.997 10.73 0.1 97 95 95 99 209 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0722 1326.0 2.8 scans 71% TIC 3.4% 0.00966% 474 0.8 98 28990 0.0309% 393511 390244 1258130 0-1 0.984 11.06 0.5 96 96 90 97 285 29.3 8.932 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4321 1347.7 3.0 scans 26% 57 m/z 0.45% 0.0623% 508 0.8 207 219871 0.0810% 2537028 1776525 3298011 7-0 19: 57 115 97 145 127 129 111 109 59 72 128 71 98 113 87 201 114 110 96 0.998 11.45 -0.8 92 92 88 92 145 61.0 8.704 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4963 1351.6 4.5 scans 97% 84 m/z (147) 0.014% 2.42% 514 0.3 1159 6908644 98924365 97114165 1-1 20: 84 133 162 161 119 92 118 82 85 65 130 51 134 78 63 55 120 91 163 52 0.998 10.96 32.6 94 97 97 99 161 308.7 7.105 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1146 Malic acid 13.4796 1474.2 2.5 scans 95% 73 m/z 0.18% 0.147% 703 1.1 379 535526 6017999 6011144 1-0 20: 73 147 233 245 133 189 190 148 75 74 175 191 335 149 101 55 234 177 217 59 1.000 13.62 -8.6 98 97 95 97 350 9.1 0.058 -0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9763 1505.8 2.9 scans 37% 156 m/z 2.7% 0.00533% 750 1.0 69 37122 217301 203615 1-1 5: 156 157 258 230 158 0.958 14.11 -8.9 91 91 84 92 273 0.0 0.000 -0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2898 1526.6 2.7 scans 36% 263 m/z (73) 1.4% 0.00850% 780 1.0 87 67842 346069 346069 0-0 6: 263 264 278 265 279 175 0.985 14.33 -2.4 87 88 64 92 278 25.0 8.149 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1044 Dodecanol 14.7370 1556.2 3.0 scans 82% TIC 0.97% 0.0293% 822 0.7 156 102772 0.0495% 1195827 1176085 2015451 2-0 0.968 14.24 32.8 94 96 93 98 243 80.9 26.866 0.495 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1964 1655.5 2.8 scans 46% 290 m/z (195) 1.1% 0.0155% 961 1.8 109 88811 633911 605182 1-2 9: 290 291 292 158 392 144 115 293 393 0.979 16.28 -5.6 95 97 87 98 392 15.9 2.115 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5500 1680.1 2.9 scans 79% 55 m/z 0.88% 0.0443% 994 1.4 190 113213 0.0569% 1804697 1620554 2316751 2-6 18: 55 83 69 97 56 70 84 111 82 113 127 98 68 140 67 96 54 125 0.977 16.63 -5.3 95 95 93 94 210 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1010 Glycerol-P 17.4906 1747.7 2.7 scans 98% 357 m/z 0.030% 1.91% 1084 0.6 1319 3308807 78044103 78043613 1-0 20: 357 299 73 147 358 315 300 445 370 211 101 103 359 301 129 133 256 387 218 131 1.000 16.97 38.2 96 99 99 99 445 206.6 2.456 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN TAB_REP6-N1048 Citric acid 18.2503 1803.3 2.6 scans 37% 273 m/z 3.0% 0.00938% 1156 1.1 95 32484 381990 362936 2-1 15: 273 274 363 375 347 465 275 348 211 376 183 364 156 231 221 0.767 18.24 0.5 95 96 67 96 465 16.5 3.005 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4460 1818.2 4.5 scans 94% TIC 0.030% 2.93% 1175 0.5 1257 3337859 5.64% 119486405 110084995 229639316 1-3 0.982 17.91 40.0 95 99 98 100 327 120.5 0.920 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1012 Phytol 18.5933 1829.5 3.9 scans 96% 68 m/z 0.043% 2.51% 1189 0.3 1259 2290938 2.74% 102420480 97168506 111562363 6-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 109 96 124 111 79 56 137 85 1.000 18.04 41.4 94 98 99 99 278 77.4 0.378 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1016 Hexadecene 18.6417 1833.2 2.8 scans 84% TIC 0.19% 0.245% 1193 1.3 459 526633 5.04% 10012864 9080244 205209602 0-2 0.982 18.10 40.8 85 87 95 97 280 68.6 2.234 0.539 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6607 1834.6 2.6 scans 39% 285 m/z (70) 0.92% 0.0444% 1195 1.1 207 108931 1809849 1768651 1-2 18: 285 117 75 132 129 286 145 118 131 287 300 201 116 61 241 130 76 257 0.941 18.73 -5.1 95 96 84 97 300 20.2 0.956 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1002 Phytol 18.8min 18.8658 1850.3 2.8 scans 94% 81 m/z 0.30% 0.279% 1215 1.0 479 324670 0.285% 11387461 10498787 11604114 1-7 20: 81 82 68 95 57 123 55 69 83 67 79 71 96 109 124 97 278 110 53 56 0.996 18.84 2.0 96 94 99 96 278 55.9 1.358 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1018 Fructose 18.9511 1856.8 2.7 scans 59% 103 m/z 1.6% 0.0185% 1223 0.7 130 58991 0.0192% 754744 745699 781751 2-0 16: 103 307 217 147 308 277 218 309 104 189 364 89 205 117 172 148 0.992 18.52 32.5 89 91 93 92 364 13.0 0.993 0.426 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9511 1856.8 3.7 scans 61% TIC 1.6% 0.0122% 1223 0.9 133 61557 0.208% 498077 498077 8468968 0-0 0.993 18.40 41.8 90 95 93 95 364 13.0 0.953 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1131 1869.1 2.9 scans 96% 81 m/z 0.13% 0.589% 1238 0.8 717 722686 23987829 23419456 1-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 40.7 92 95 98 99 278 96.7 1.822 0.534 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN BRA4_R~2-N1004 Galactose 19.2709 1881.2 2.7 scans 72% 73 m/z (57) 0.79% 0.0490% 1253 0.8 205 125890 0.0737% 1996817 1845538 3000783 0-1 20: 73 319 205 160 147 320 217 321 103 206 229 117 74 189 133 161 207 148 157 89 0.985 19.36 -6.9 93 94 92 96 364 13.0 0.401 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1064 Mannose 19.2709 1881.2 2.7 scans 74% 73 m/z 0.77% 0.0470% 1253 0.8 208 130067 0.0707% 1915117 1770029 2878635 0-1 20: 73 319 205 160 147 320 217 321 103 206 229 117 74 189 133 161 207 148 157 89 0.979 19.45 -14.0 94 93 92 93 319 75.0 12.971 -0.184 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9244 1932.7 3.0 scans 87% TIC 0.25% 0.132% 1315 1.2 308 399165 0.155% 5396647 4533245 6311010 0-2 0.998 19.91 1.0 96 94 95 99 361 13.0 0.179 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8008 2003.3 3.2 scans 94% TIC 0.18% 0.564% 1398 0.9 660 535493 0.608% 22987043 21952639 24755444 0-6 0.999 20.27 43.1 81 81 94 98 322 45.4 0.473 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1038 C16:0 21.1754 2034.7 4.1 scans 97% 313 m/z 0.023% 3.27% 1434 0.4 1426 4292166 133287902 133270932 1-0 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 69 57 201 74 315 269 116 1.000 20.62 46.4 94 99 99 100 328 163.7 1.320 0.558 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6710 2076.4 2.9 scans 62% 305 m/z 1.1% 0.0483% 1481 1.1 207 90051 1966762 1923265 3-1 19: 305 217 147 318 191 306 265 319 218 307 432 320 433 367 192 219 291 221 148 0.987 21.75 -6.5 95 94 92 95 507 13.7 0.433 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2918 2129.7 3.6 scans 47% 327 m/z (204) 1.6% 0.0498% 1540 1.0 177 59100 0.0565% 2029399 1847224 2300465 1-2 10: 327 117 132 328 145 342 329 283 185 343 0.960 22.33 -3.3 94 96 93 97 342 19.1 1.161 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.4075 2139.8 3.1 scans 21% 204 m/z 3.8% 0.00493% 1551 1.0 65 25889 0.0490% 200732 185503 1995093 3-1 4: 204 249 205 206 0.905 22.71 -26.7 83 86 75 86 518 0.0 0.000 -0.306 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1040 Phytol 22.6275 2159.0 3.5 scans 89% 143 m/z 0.072% 0.346% 1572 1.3 482 1388912 14088843 12640567 5-6 19: 143 73 75 144 123 81 57 55 145 124 95 69 103 97 82 83 67 96 74 0.996 22.08 47.5 80 82 90 96 181 7.0 0.021 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 6.9 scans 95% TIC 0.033% 7.17% 1628 0.2 1651 3001658 8.37% 292276609 292276609 340794517 0-0 0.999 23.12 8.8 96 95 98 95 350 115.2 0.487 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1036 C18:0 23.4250 2230.0 2.7 scans 90% 341 m/z 0.083% 0.640% 1648 0.8 763 1194966 26062826 24613282 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 69 118 201 343 74 297 83 0.999 22.89 48.2 93 99 98 99 356 99.1 1.686 0.536 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7291 2257.8 3.2 scans 14% 163 m/z 1.2% 0.0150% 1677 1.2 108 78844 0.0254% 614267 576356 1034191 6-4 7: 163 331 164 165 88 332 90 0.511 23.72 0.9 88 92 60 93 331 26.5 6.031 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1006 Androsterone 23.9143 2274.7 3.2 scans 77% TIC 0.18% 0.166% 1694 1.0 419 545410 0.355% 6792443 6792443 14454248 0-0 0.993 23.89 2.3 86 79 80 99 345 23.3 0.309 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1010 Epitestosterone 23.9827 2281.0 3.0 scans 68% 143 m/z 0.52% 0.0813% 1701 1.0 275 189337 0.314% 3311161 3077277 12784884 0-1 19: 143 73 135 75 144 80 157 187 107 255 93 134 121 159 175 119 105 345 161 0.991 23.96 2.1 91 90 94 94 360 18.3 0.441 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1594 2297.1 3.6 scans 30% 204 m/z (333 143) 0.81% 0.0307% 1718 0.8 143 122247 0.0563% 1250124 1196635 2292322 0-2 13: 204 217 205 337 147 103 206 219 218 338 361 243 319 0.965 24.01 13.6 84 88 83 90 490 0.0 0.000 0.149 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1594 2297.1 3.6 scans 32% 204 m/z (143) 0.82% 0.0332% 1718 0.8 149 121527 0.0610% 1354909 1296937 2483688 0-2 13: 204 217 205 337 147 103 206 219 218 338 361 243 319 0.910 24.18 -2.0 87 89 85 90 581 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2552 2306.1 6.8 scans 88% 143 m/z 0.045% 0.443% 1727 1.3 579 2226452 0.759% 18073739 17657565 30903589 1-0 20: 143 73 144 75 156 145 81 69 95 155 109 272 74 170 115 55 93 169 219 130 0.999 24.23 2.3 98 96 99 99 362 39.0 0.455 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1014 Androsterone 24.3min 24.2962 2310.0 >3 scans 89% 143 m/z 0.048% 0.370% 1731 1.2 552 2054559 0.843% 15068478 14179992 34323749 0-2 20: 143 73 144 75 81 156 145 69 95 109 272 155 55 74 115 219 170 67 123 130 1.000 24.27 2.1 100 99 99 99 362 33.5 0.369 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1016 Androsterone 24.5min 24.5424 2333.4 3.1 scans 27% 143 m/z (117) 0.99% 0.0206% 1754 1.0 121 100507 0.0210% 840613 766217 855040 0-2 11: 143 144 300 180 284 315 374 179 301 285 228 0.884 24.52 2.4 87 93 79 94 362 6.0 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1018 myo-Inositol 25.2274 2398.5 3.3 scans 77% TIC 0.39% 0.161% 1819 1.4 357 255908 0.286% 6573727 6411428 11644831 2-1 0.965 25.21 1.7 96 94 95 100 470 24.4 0.468 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6388 2439.2 3.6 scans 49% 91 m/z 0.61% 0.0373% 1858 1.6 160 163457 0.0491% 1521309 1449184 1999165 4-1 15: 91 117 207 194 92 193 312 208 115 65 104 118 179 178 102 0.964 25.61 2.9 97 98 96 97 312 19.5 1.480 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1024 Steroid 26.19min 2494 26.2165 2496.4 3.3 scans 37% 143 m/z 1.0% 0.0310% 1913 1.2 157 99749 1263707 1193831 2-1 10: 143 192 177 144 156 272 178 257 137 122 0.946 26.19 2.3 86 85 88 94 347 8.3 0.278 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3196 2506.9 3.4 scans 52% 204 m/z 0.44% 0.0684% 1923 1.0 231 227015 0.262% 2786708 2472949 10667642 16-0 10: 204 217 205 147 219 206 218 305 220 293 0.957 25.86 46.2 83 86 88 99 361 11.5 0.249 0.464 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5742 2533.2 3.1 scans 30% 512 m/z (218) 1.4% 0.0400% 1947 1.0 174 67620 1631023 1504746 1-1 17: 512 455 247 513 456 514 483 248 349 457 263 484 497 423 235 409 350 0.932 26.57 0.1 93 95 83 95 512 58.6 11.305 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9509 2572.1 3.0 scans 88% 371 m/z 0.033% 1.10% 1983 0.8 972 3020498 1.23% 45079859 43561042 50080915 1-2 20: 371 372 73 147 57 129 205 203 239 459 55 373 71 103 116 145 75 101 117 85 1.000 26.39 57.5 90 97 97 100 459 122.8 1.601 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1008 Sucrose 27.4349 2622.8 3.1 scans 40% 361 m/z (397) 0.36% 0.112% 2029 1.0 301 273766 4591509 4441224 0-4 9: 361 362 437 363 451 438 439 364 452 0.965 27.59 -16.7 94 94 92 98 437 55.8 3.441 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1010 Sucrose 27.4349 2622.8 3.1 scans 41% 361 m/z (663) 0.36% 0.116% 2029 1.0 306 273693 4743084 4587838 0-4 9: 361 362 437 363 451 438 439 364 452 0.966 27.58 -15.4 94 94 94 98 437 55.8 3.331 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN LQC1-N1014 Sucrose 27.4349 2622.8 3.1 scans 38% 361 m/z 0.36% 0.102% 2029 1.0 294 273942 4179699 4042893 0-4 9: 361 362 437 363 451 438 439 364 452 0.932 27.49 -5.9 97 97 90 98 437 55.8 3.591 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6222 2642.8 4.8 scans 60% TIC 0.20% 0.430% 2047 0.9 471 496130 1.10% 17526943 10184354 44787810 0-7 0.944 27.64 -2.2 89 87 82 93 632 17.1 0.132 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6849 2759.3 3.4 scans 42% 99 m/z 0.37% 0.0524% 2148 0.9 244 266707 0.167% 2134155 2134155 6799604 0-0 18: 99 71 189 173 283 171 103 100 145 185 385 184 288 269 169 287 199 187 0.955 28.69 -0.1 93 93 84 93 603 6.8 0.078 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7502 2766.6 3.1 scans 87% 399 m/z 0.055% 0.694% 2154 0.9 754 1797301 0.735% 28264268 25256760 29926400 1-1 20: 399 400 73 147 129 57 205 203 103 55 401 487 71 116 145 75 117 101 85 267 0.997 28.19 62.7 88 97 96 99 487 97.2 1.662 0.557 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1034 Nonacosane 29.5372 2855.1 3.3 scans 82% 57 m/z 0.12% 0.332% 2229 1.0 507 782370 13530171 13162061 1-2 20: 57 71 85 55 99 69 56 83 365 97 113 70 127 111 84 141 393 155 366 98 0.998 29.50 3.6 93 90 97 99 408 18.7 0.136 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8581 2891.2 3.2 scans 85% 57 m/z 0.10% 0.388% 2259 1.0 555 952716 15821375 15495897 1-2 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 72 0.996 29.83 3.5 95 91 98 100 408 35.0 0.398 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1038 Hexacosanol 30.1991 2931.2 3.2 scans 3.1% 439 m/z 8.0% 0.00210% 2292 1.0 38 12491 0.00339% 85564 85564 138028 0-0 2: 439 440 0.533 30.17 3.1 92 97 46 96 439 28.2 54.760 0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4884 2965.6 3.3 scans 73% 57 m/z 0.16% 0.241% 2319 0.9 430 593741 0.286% 9844718 9148477 11644831 0-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 155 0.995 30.46 3.0 99 98 99 100 393 101.0 5.530 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2376 3054.6 3.4 scans 82% 57 m/z 0.098% 0.480% 2390 0.8 593 1021472 0.506% 19552978 18490497 20602393 1-2 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 141 84 394 155 421 98 0.991 31.21 3.1 98 97 99 100 393 91.8 2.399 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1048 Hentriacontane 31.5564 3092.4 3.5 scans 86% 57 m/z 0.048% 1.02% 2421 0.5 854 2048997 41818948 40824554 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 125 82 0.996 31.53 2.9 94 91 97 98 436 50.5 0.349 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7016 3109.7 7.8 scans 16% 204 m/z 1.4% 0.0111% 2435 1.4 121 68676 0.151% 452954 424782 6148145 0-4 9: 204 597 598 337 217 129 205 73 338 0.848 31.68 3.1 84 86 79 86 597 14.9 1.517 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8521 3127.6 3.3 scans 89% 502 m/z 0.034% 1.02% 2449 0.6 894 2908480 41553228 41017388 1-0 18: 502 237 503 73 236 238 504 57 277 221 223 208 71 55 74 239 505 193 0.999 31.79 7.2 100 99 99 100 502 430.4 23.268 0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9731 3141.9 3.7 scans 79% TIC 0.28% 0.452% 2460 1.0 586 349778 0.536% 18413678 17835948 21823878 1-0 0.998 31.87 12.5 96 94 95 98 458 86.0 2.150 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1309 3160.7 3.3 scans 27% 57 m/z 0.50% 0.0671% 2475 1.1 251 200373 0.146% 2735613 2721209 5944564 0-1 17: 57 71 56 85 421 83 99 97 420 70 422 113 127 84 141 58 393 0.977 32.11 2.5 96 96 97 98 421 56.9 5.150 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1004 Campesterol 32.8117 3241.5 4.6 scans 60% TIC 0.25% 0.563% 2540 0.8 617 395423 22933596 22233776 0-1 0.821 32.21 71.4 83 95 89 98 472 88.8 2.069 0.602 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1046 Stigmasterol 33.0221 3266.5 3.6 scans 83% 83 m/z 0.082% 1.78% 2560 0.5 1118 1216147 72773727 68848589 1-2 19: 83 129 55 255 394 484 69 81 133 119 75 145 107 105 159 355 351 95 93 0.997 32.98 4.7 98 97 98 100 665 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1200 3278.1 3.3 scans 64% TIC 0.11% 0.284% 2569 0.9 562 909808 1.85% 11585424 11553717 75324953 0-1 0.968 33.10 2.7 89 88 96 97 515 31.6 0.000 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3683 3307.6 4.3 scans 23% 99 m/z (391 501) 1.1% 0.114% 2593 0.9 248 88579 0.154% 4665325 4232980 6270293 1-0 16: 99 189 217 71 173 438 362 451 190 218 531 147 453 100 487 319 0.834 33.38 -1.3 84 91 78 92 529 39.6 2.543 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN WTF2-N1034 b-Sitosterol 33.5166 3325.3 3.7 scans 80% 129 m/z 0.12% 1.20% 2607 0.5 922 829860 48935786 47192220 1-2 19: 129 357 396 381 486 95 121 107 75 119 397 358 145 81 105 57 356 93 55 0.998 32.88 76.0 84 96 98 99 486 132.1 2.051 0.640 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN QC1-N1054 Steroid 33.58min 3333 33.6187 3337.4 3.4 scans 28% 386 m/z (407) 1.1% 0.175% 2617 1.0 346 87215 0.245% 7165581 6490157 9975467 4-12 8: 386 296 281 387 457 394 379 371 0.970 33.58 4.1 87 88 91 95 505 5.8 0.000 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9112 3372.1 3.9 scans 3.1% 441 m/z 1.7% 0.0104% 2645 1.2 81 58691 425221 424091 0-2 7: 441 442 646 308 443 647 457 0.641 33.80 13.7 88 89 54 93 646 17.5 4.619 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6109 3455.2 3.8 scans 32% 596 m/z 0.27% 0.129% 2711 0.9 285 360598 0.134% 5285741 4762997 5455970 2-11 16: 596 597 598 331 316 599 302 318 356 315 303 317 342 300 330 600 0.940 34.47 16.5 97 96 90 99 596 151.6 28.346 0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN EXBLK5S-N1006 Contamination 6.3678 1048.1 2.0 scans 72% 207 m/z (75) 0.61% 0.0266% 27 0.9 171 170323 1039659 979828 1-1 17: 207 295 208 209 296 191 297 279 177 193 192 189 247 210 263 265 280 0.991 6.63 -15.2 95 96 86 97 295 54.6 10.251 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8072 1133.4 6.2 scans 45% TIC 3.2% 0.00571% 164 1.1 77 32128 0.239% 223273 223273 9332781 0-0 0.835 7.79 0.8 81 79 75 90 219 7.4 0.909 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1192 Contamination 7.9713 1143.1 2.3 scans 96% 147 m/z 0.072% 0.446% 179 0.9 649 1440598 17437692 16764072 3-1 20: 147 73 133 220 235 148 59 146 72 86 74 89 160 149 75 100 103 134 131 221 0.996 7.99 -1.1 99 98 97 98 235 132.4 4.171 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1026 Cadaverine NC 8.1229 1152.1 2.3 scans 26% 174 m/z 6.4% 0.00228% 194 0.9 46 16151 0.0281% 89173 89173 1097285 0-0 6: 174 86 175 216 142 100 1.000 7.74 22.9 90 92 82 92 216 11.5 6.340 0.387 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1188 Contamination 8.3017 1162.7 2.3 scans 64% 281 m/z 2.0% 0.0131% 211 1.0 112 50213 514792 497573 1-1 16: 281 147 369 282 283 370 371 265 207 148 249 191 149 284 266 193 0.952 8.41 -6.7 98 97 80 98 369 33.1 8.735 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1186 Phosphate 8.4974 1174.3 2.2 scans 95% 241 m/z 0.10% 0.154% 229 1.2 395 1004214 6038049 5767374 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 119 137 147 121 181 212 257 1.000 8.56 -3.7 100 99 99 100 299 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1180 Benzoic acid 9.6706 1243.3 2.5 scans 43% 179 m/z (217) 4.7% 0.00487% 341 1.1 63 21911 0.00552% 190530 184493 215552 0-2 8: 179 105 135 77 180 194 51 106 0.995 9.76 -5.2 94 96 89 96 194 8.3 1.718 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN VEN77_S6-N1002 Glycerol 10.0368 1264.7 5.7 scans 97% 300 m/z 0.012% 3.92% 375 0.3 1256 8338405 153295299 150014783 1-1 18: 300 314 301 315 211 284 298 285 269 208 195 317 107 136 120 270 214 186 0.969 10.09 -3.3 99 98 95 99 299 702.1 31.452 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6660 1301.6 2.6 scans 66% 199 m/z 1.0% 0.0479% 435 1.1 198 99075 1873242 1747525 2-1 17: 199 75 117 145 132 129 131 200 81 76 118 79 201 61 155 95 72 0.787 10.73 -4.0 96 94 93 99 209 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0101 1322.3 2.5 scans 62% 184 m/z 3.9% 0.00813% 468 1.0 87 26177 317709 317502 1-0 13: 184 134 285 174 185 86 100 77 227 59 135 286 172 0.888 11.06 -3.2 92 92 87 93 285 27.1 9.717 -0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3783 1344.5 2.8 scans 18% 57 m/z 0.34% 0.0759% 503 1.0 237 299789 0.0896% 2966885 2677681 3498817 4-0 18: 57 97 115 145 127 129 69 111 59 109 128 72 71 98 201 87 114 113 0.995 11.45 -4.0 94 94 89 94 145 71.8 9.203 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4278 1347.4 3.9 scans 97% TIC 0.015% 2.12% 508 0.3 1075 6645129 83060516 79032574 2-2 0.996 10.96 28.4 96 97 96 98 161 285.6 7.075 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1146 Malic acid 13.4501 1472.4 2.5 scans 94% TIC 0.15% 0.184% 700 0.9 404 669060 7214552 6829969 2-1 0.993 13.62 -10.4 99 98 97 98 350 7.9 0.038 -0.167 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1138 Pyroglutamic acid 13.9468 1503.8 2.8 scans 51% 156 m/z 2.5% 0.00655% 747 1.2 72 41421 255934 255934 0-0 6: 156 157 258 230 158 232 0.978 14.11 -10.9 87 85 81 93 273 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6612 1551.2 >4 scans 81% TIC 1.1% 0.0151% 815 1.4 120 92949 0.118% 593060 593060 4607817 0-0 0.999 14.16 32.9 91 92 90 96 250 23.5 3.849 0.496 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1044 Dodecanol 14.7138 1554.7 2.7 scans 91% TIC 0.41% 0.0590% 820 0.9 223 252218 0.0934% 2306418 2088133 3647204 0-9 0.998 14.24 31.3 97 99 98 99 243 122.1 30.108 0.472 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1764 1654.1 2.9 scans 84% 290 m/z (195 156) 0.33% 0.0704% 959 1.8 216 310652 2752232 2602385 1-3 14: 290 291 292 392 158 144 131 393 115 293 100 130 160 200 0.984 16.28 -7.0 96 99 96 99 392 31.0 2.065 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5331 1678.9 2.7 scans 92% 55 m/z 0.26% 0.162% 993 1.0 352 389496 0.172% 6339764 5471940 6716478 8-5 20: 55 83 69 73 70 56 97 57 84 111 82 127 113 98 68 71 140 67 96 125 0.999 16.63 -6.5 99 98 98 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1010 Glycerol-P 17.4695 1746.2 2.6 scans 98% 299 m/z 0.035% 1.71% 1082 0.6 1199 2972590 66896296 66856305 1-0 20: 299 357 73 147 358 315 300 370 445 211 103 359 101 133 129 301 256 387 218 131 1.000 16.97 36.7 96 99 99 99 445 189.7 2.507 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5432 1751.5 2.6 scans 53% 217 m/z 1.5% 0.0153% 1089 1.0 115 67018 0.0970% 600007 567191 3787781 1-1 11: 217 218 219 450 191 232 305 175 451 169 203 0.941 17.63 -6.5 84 83 81 85 450 17.9 2.418 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN TAB_REP6-N1048 Citric acid 18.2292 1801.7 2.7 scans 23% 273 m/z 5.3% 0.00489% 1154 1.2 64 19436 191313 191313 0-1 10: 273 274 363 347 375 465 275 211 156 364 0.720 18.24 -1.1 85 89 46 89 465 12.7 3.861 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4249 1816.6 4.3 scans 94% TIC 0.029% 3.05% 1173 0.5 1236 3486320 119425754 112842556 1-3 0.995 17.91 38.4 96 99 98 99 327 117.8 0.909 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1014 Phytol 18.5638 1827.2 3.3 scans 87% 68 m/z (125) 0.050% 1.79% 1186 0.4 1078 2052757 2.01% 69912133 68248496 78489079 3-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 79 56 53 70 0.990 18.34 17.4 83 83 89 89 278 62.7 0.338 0.228 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.3 scans 97% 68 m/z 0.051% 1.95% 1186 0.4 1136 2035278 2.19% 76248917 74434489 85517952 3-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 79 56 53 70 1.000 18.04 39.1 94 98 99 99 278 67.9 0.358 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1016 Hexadecene 18.6185 1831.4 2.5 scans 87% 70 m/z 0.22% 0.185% 1191 1.1 412 454237 1.57% 7262526 6679915 61307390 0-1 20: 70 69 57 55 71 83 56 111 125 126 97 84 280 85 140 67 112 82 68 98 0.995 18.10 39.0 84 84 92 97 280 62.1 2.272 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6406 1833.1 2.6 scans 45% 285 m/z (70) 0.96% 0.0467% 1193 1.1 198 108120 0.724% 1827049 1710770 28271688 2-4 19: 285 117 75 132 129 286 145 131 118 300 287 74 241 116 201 257 61 76 130 0.959 18.73 -6.6 94 95 84 97 300 19.1 0.936 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1002 Phytol 18.8min 18.8458 1848.7 2.7 scans 94% 81 m/z 0.36% 0.234% 1213 0.9 431 281828 9140116 8612994 1-4 20: 81 82 95 68 57 123 55 69 67 83 79 71 124 96 97 109 278 110 56 53 0.997 18.84 0.4 98 96 99 97 278 50.3 1.361 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1018 Fructose 18.9331 1855.4 2.7 scans 47% 307 m/z 2.8% 0.0108% 1221 0.7 95 36090 0.0110% 424504 417900 429542 4-0 10: 307 103 217 308 277 309 104 189 364 89 0.949 18.52 31.1 86 89 86 89 364 9.8 1.053 0.408 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0920 1867.5 2.9 scans 96% 81 m/z 0.17% 0.495% 1236 0.8 624 588854 19351162 19160043 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.58 39.1 93 95 98 99 278 84.7 1.842 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1068 Galactopyranose 19.2046 1876.1 3.7 scans 59% TIC 1.2% 0.00954% 1247 1.4 122 80961 0.387% 372862 372862 15112076 0-0 0.991 19.32 -8.4 86 85 88 86 435 0.0 0.000 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN BRA4_R~2-N1004 Galactose 19.2530 1879.8 3.2 scans 69% TIC 1.2% 0.0291% 1251 1.1 162 86526 0.454% 1136357 1136357 17728379 0-0 0.994 19.36 -8.3 94 93 90 95 364 8.9 0.298 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1064 Mannose 19.2530 1879.8 2.8 scans 64% 319 m/z 1.3% 0.0318% 1251 0.9 156 77513 0.0508% 1243788 1243788 1983704 0-0 15: 319 205 160 147 320 206 103 321 229 161 207 89 189 157 291 0.983 19.45 -15.4 93 92 90 92 319 57.9 13.722 -0.202 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9064 1931.2 2.9 scans 88% TIC 0.26% 0.137% 1313 1.3 298 398291 0.162% 5362908 4469159 6325985 2-2 0.998 19.91 -0.5 95 92 94 99 361 13.2 0.196 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2694 1960.4 2.7 scans 70% 204 m/z 0.69% 0.0390% 1348 1.0 181 150658 1526392 1338590 3-5 16: 204 73 191 205 147 217 192 206 218 189 193 219 148 203 305 435 0.990 20.41 -11.6 91 90 91 91 217 39.9 4.839 -0.145 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7839 2001.8 2.9 scans 94% TIC 0.18% 0.537% 1397 0.9 645 557938 0.602% 20987128 20232003 23507674 1-2 0.999 20.27 41.6 82 82 94 98 322 44.4 0.473 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1038 C16:0 21.1596 2033.4 4.0 scans 97% 313 m/z 0.023% 3.33% 1433 0.3 1361 4371648 130223116 127669200 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 201 315 57 69 269 285 74 1.000 20.62 45.1 94 99 99 100 328 158.3 1.353 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6520 2074.8 5.7 scans 79% TIC 0.68% 0.0810% 1479 0.9 253 152850 0.298% 3164767 3164767 11636689 0-0 0.994 21.75 -8.1 97 96 94 96 507 16.0 0.398 -0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2675 2127.6 6.5 scans 64% TIC 1.0% 0.0599% 1538 1.4 208 95765 0.144% 2339709 2336283 5623098 0-1 0.993 22.33 -5.4 95 94 93 96 342 20.3 0.956 -0.062 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.3896 2138.2 3.1 scans 26% 204 m/z (156) 4.2% 0.00693% 1549 1.0 65 24371 0.0601% 270798 236116 2346863 4-4 4: 204 249 205 206 0.896 22.71 -28.3 85 91 81 90 518 0.0 0.000 -0.324 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1040 Phytol 22.6106 2157.5 3.3 scans 90% 143 m/z 0.066% 0.366% 1570 1.0 496 1570269 14296773 13340053 5-2 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 71 97 82 83 74 67 96 0.998 22.08 46.0 80 81 90 97 181 8.6 0.030 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1914 2208.6 6.6 scans 92% 79 m/z 0.035% 7.40% 1626 0.2 1574 2925760 7.76% 289214998 262538451 303022515 0-9 20: 79 75 73 95 93 108 67 80 335 81 91 107 129 121 94 149 135 55 77 122 0.998 23.12 6.8 96 95 98 95 350 114.4 0.528 0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1036 C18:0 23.4060 2228.2 2.7 scans 91% 341 m/z 0.080% 0.692% 1646 0.8 759 1291061 27043567 25949265 1-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 313 0.999 22.89 46.4 93 98 98 99 356 99.9 1.733 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7101 2256.0 2.8 scans 46% 163 m/z (95) 0.35% 0.0657% 1675 1.0 227 291063 0.0696% 2569046 2448407 2717831 3-6 9: 163 331 164 165 161 332 88 178 90 0.988 23.72 -0.9 95 96 93 97 331 51.3 5.107 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1006 Androsterone 23.8911 2272.6 2.9 scans 39% 143 m/z 1.1% 0.0493% 1692 0.8 165 87199 0.0594% 1928165 1394786 2319528 19-0 7: 143 187 144 255 188 270 156 0.850 23.89 0.2 84 82 75 96 345 3.4 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1415 2295.5 3.1 scans 38% 204 m/z 0.71% 0.0362% 1716 0.9 166 145566 0.0444% 1415963 1373530 1733789 1-1 17: 204 217 205 337 147 103 206 219 338 218 191 361 203 243 339 189 220 0.743 24.18 -3.6 89 90 83 91 581 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2299 2303.7 6.7 scans 51% 143 m/z 0.32% 0.0444% 1724 1.1 199 317029 0.123% 1736597 1734815 4803063 1-0 18: 143 73 144 156 145 272 170 155 257 115 362 74 219 279 163 157 273 127 0.935 24.23 -0.1 95 96 90 96 362 13.6 0.468 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1014 Androsterone 24.3min 24.2699 2307.5 >4 scans 61% TIC 0.35% 0.0522% 1728 1.5 195 292150 0.263% 2041982 1630013 10269964 0-2 0.976 24.27 -0.4 93 92 91 93 362 13.1 0.453 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1018 myo-Inositol 25.2084 2396.7 3.5 scans 71% TIC 0.64% 0.109% 1817 1.4 276 161348 0.225% 4284356 4278570 8786091 1-0 0.965 25.21 -0.1 98 97 95 100 470 18.6 0.455 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6230 2437.6 3.4 scans 49% 91 m/z 0.63% 0.0374% 1857 1.2 154 163311 0.0484% 1461433 1371857 1889986 4-3 15: 91 117 194 207 92 208 115 312 193 65 104 51 118 178 63 0.973 25.61 1.3 97 98 95 97 312 18.6 1.464 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3006 2504.9 3.7 scans 49% TIC 0.47% 0.0364% 1921 1.1 219 217354 0.116% 1424987 1424987 4529718 0-0 0.955 25.86 44.2 85 87 89 99 361 11.2 0.260 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5552 2531.2 2.8 scans 52% 512 m/z 0.47% 0.116% 1945 1.0 299 221157 4563716 4498456 1-0 15: 512 455 247 513 456 514 483 248 349 263 457 497 423 484 249 0.967 26.57 -1.9 98 97 91 98 512 102.3 11.732 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9288 2569.8 2.8 scans 85% 371 m/z 0.046% 0.770% 1981 0.7 802 2248753 0.838% 30096070 29368414 32723308 2-1 18: 371 372 147 57 129 205 203 239 459 373 55 71 116 75 145 101 117 133 0.999 26.39 55.2 90 97 97 100 459 102.1 1.625 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1010 Sucrose 27.4159 2620.8 3.0 scans 41% 361 m/z 0.36% 0.107% 2027 1.1 289 289003 4207325 4064965 1-6 9: 361 362 437 363 451 438 439 364 452 0.942 27.58 -17.4 98 98 89 98 437 54.7 3.583 -0.163 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN LQC1-N1014 Sucrose 27.4159 2620.8 3.0 scans 43% 361 m/z (397) 0.36% 0.116% 2027 1.1 294 288460 4547182 4393322 1-6 9: 361 362 437 363 451 438 439 364 452 0.978 27.49 -7.9 97 98 94 98 437 54.7 3.466 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6043 2640.9 3.1 scans 68% 99 m/z 0.14% 0.401% 2045 0.9 553 709094 0.552% 15692995 15692995 21555210 0-0 13: 99 71 189 214 173 145 171 187 100 287 186 296 269 0.973 27.64 -4.1 92 90 85 96 632 20.3 0.135 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3692 2723.8 3.1 scans 78% 99 m/z (218) 0.11% 0.472% 2118 0.7 517 933752 0.549% 18432657 16892128 21438062 0-6 18: 99 71 173 189 283 171 103 117 100 145 385 185 187 184 273 269 169 155 0.994 28.41 -4.6 89 88 89 96 603 18.2 0.124 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6659 2757.1 3.0 scans 60% 99 m/z 0.24% 0.112% 2146 0.9 326 429271 0.256% 4378565 4378565 9996619 0-0 18: 99 71 189 173 283 103 171 145 100 185 385 184 187 117 169 273 288 170 0.968 28.69 -2.3 97 97 96 97 603 8.8 0.072 -0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7280 2764.1 2.8 scans 86% 399 m/z 0.080% 0.471% 2152 0.8 617 1297074 0.508% 18392380 17448906 19837041 0-1 18: 399 400 73 147 129 57 205 203 103 487 401 55 116 145 267 117 101 85 0.998 28.19 60.2 88 96 96 99 487 78.9 1.633 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1032 Sterol 29.17min 2814 29.1721 2814.1 4.0 scans 16% 99 m/z 1.1% 0.0165% 2194 1.2 99 87644 0.0446% 647533 605593 1741598 0-1 3: 99 100 356 0.912 29.17 0.4 80 82 72 83 355 10.1 1.032 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1034 Nonacosane 29.5161 2852.8 3.0 scans 81% 57 m/z 0.14% 0.301% 2227 0.8 479 742711 11774901 11041976 1-1 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 111 141 84 393 364 155 366 0.998 29.50 1.3 94 90 97 98 408 18.1 0.143 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8402 2889.2 3.2 scans 82% 57 m/z 0.14% 0.313% 2258 0.8 468 728876 12246555 11800223 1-3 20: 57 71 85 55 99 69 83 56 113 97 70 127 84 141 111 98 155 58 112 72 0.993 29.83 1.5 95 92 98 99 408 30.6 0.427 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4684 2963.2 3.0 scans 73% 57 m/z 0.18% 0.215% 2317 0.9 400 552963 0.266% 8407204 8026026 10387112 1-1 18: 57 71 85 56 393 55 99 83 97 70 392 113 394 127 141 84 58 155 0.995 30.46 0.6 99 98 99 100 393 93.7 5.484 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2196 3052.4 3.3 scans 82% 57 m/z 0.096% 0.503% 2389 0.7 586 1073265 0.532% 19670591 19106336 20774224 1-2 20: 57 71 85 55 99 69 393 56 83 97 113 70 127 111 141 84 421 155 394 392 0.992 31.21 0.9 99 97 99 100 393 91.5 2.439 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1048 Hentriacontane 31.5363 3090.1 3.1 scans 86% 57 m/z 0.052% 0.906% 2419 0.5 800 1997250 35412400 34500119 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 155 98 112 169 125 0.999 31.53 0.6 100 99 100 99 436 48.0 0.359 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6836 3107.6 7.0 scans 17% 204 m/z 1.3% 0.0128% 2433 1.1 123 74382 0.0893% 503534 474549 3487102 0-1 15: 204 597 73 337 205 598 217 103 338 129 206 361 191 599 147 0.865 31.68 1.0 85 86 80 88 597 16.6 1.813 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8331 3125.3 3.2 scans 90% 502 m/z 0.031% 1.17% 2447 0.6 910 3293599 45767841 44657182 1-0 18: 502 237 503 73 236 504 238 57 277 221 223 208 55 71 239 74 505 193 0.999 31.79 4.9 100 99 99 100 502 441.3 23.559 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9530 3139.5 3.4 scans 74% 329 m/z 0.32% 0.437% 2458 0.8 541 317669 17091913 16052390 1-1 17: 329 129 368 353 458 330 95 119 121 107 105 328 145 81 369 159 91 0.994 31.87 10.1 97 95 95 98 458 80.8 2.232 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1119 3158.4 3.4 scans 24% 57 m/z 0.58% 0.0606% 2473 1.1 229 178238 0.145% 2367517 2352091 5662148 0-1 17: 57 71 56 85 421 99 70 420 83 422 97 113 127 58 84 141 392 0.966 32.11 0.2 94 95 96 98 421 51.9 5.121 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1004 Campesterol 32.7916 3239.1 4.4 scans 59% TIC 0.28% 0.508% 2538 0.9 570 364977 19850277 19105706 1-0 0.799 32.21 69.0 83 95 88 98 472 83.5 2.143 0.582 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1046 Stigmasterol 32.9999 3263.9 3.4 scans 82% 83 m/z 0.095% 1.66% 2558 0.5 1035 1095196 1.81% 64848024 61693350 70679221 1-3 19: 83 129 55 255 69 81 484 394 75 133 119 159 105 107 145 93 95 97 355 0.993 32.98 2.1 97 95 98 99 665 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.0999 3275.8 3.2 scans 58% 57 m/z 0.12% 0.357% 2567 0.7 517 820110 0.776% 13942759 13662978 30302251 0-1 20: 57 71 85 55 99 69 83 97 56 113 70 127 111 84 141 98 112 155 72 58 0.979 33.10 0.4 84 80 96 94 515 27.7 0.287 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3493 3305.4 3.5 scans 30% 99 m/z (391) 0.85% 0.151% 2591 0.7 303 121588 0.255% 5918423 5884831 9957570 1-0 19: 99 437 217 529 361 189 71 438 173 362 530 287 439 451 271 363 190 531 421 0.942 33.38 -3.5 87 88 88 96 529 49.9 2.718 -0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN WTF2-N1034 b-Sitosterol 33.4955 3322.7 3.4 scans 79% 129 m/z 0.12% 1.10% 2605 0.5 878 811847 1.52% 43179858 42142347 59354926 1-3 19: 129 357 396 486 381 95 121 119 107 75 145 397 105 358 81 356 57 133 93 0.998 32.88 73.4 85 97 98 99 486 129.2 2.166 0.619 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1054 Steroid 33.58min 3333 33.5965 3334.7 3.3 scans 21% 386 m/z 1.1% 0.132% 2615 1.0 300 93185 0.178% 5166803 4920978 6950774 3-6 6: 386 296 281 387 394 379 0.876 33.58 1.4 87 87 77 92 505 11.3 0.000 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8901 3369.6 3.3 scans 3.1% 441 m/z 1.8% 0.00878% 2642 1.0 74 55139 343214 328630 3-1 7: 441 442 646 308 647 443 510 0.591 33.80 11.2 89 92 56 93 646 16.4 4.898 0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2289 3409.8 4.0 scans 10% 499 m/z 1.1% 0.0433% 2675 0.9 157 94472 0.0471% 1694265 1588950 1839222 0-1 3: 499 500 383 0.756 34.22 1.1 80 89 72 90 499 49.4 9.946 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5867 3452.3 3.8 scans 28% 596 m/z 0.33% 0.108% 2709 0.9 251 308008 4250894 4047641 1-2 11: 596 597 598 316 302 599 356 318 315 303 342 0.940 34.47 13.6 97 96 91 99 596 134.9 28.813 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN EXBLK5S-N1006 Contamination 6.3689 1048.1 5.1 scans 78% TIC 0.48% 0.0263% 27 0.9 191 225975 0.109% 1218305 1168282 5033188 1-0 0.998 6.63 -15.2 98 97 89 98 295 58.5 9.440 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1192 Contamination 7.9609 1142.5 2.3 scans 95% 147 m/z (165) 0.12% 0.237% 178 1.0 485 907748 10944616 10518376 3-1 19: 147 73 133 220 235 148 59 146 72 86 160 89 74 100 103 149 131 134 236 0.994 7.99 -1.7 97 98 97 99 235 99.2 4.186 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1188 Contamination 8.3050 1162.9 2.2 scans 73% 281 m/z 1.4% 0.0161% 211 1.0 133 77967 744511 734135 1-1 18: 281 147 369 282 283 370 265 371 207 249 148 191 284 266 208 251 267 372 0.951 8.41 -6.5 98 97 82 99 369 38.8 8.552 -0.110 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1186 Phosphate 8.4933 1174.1 2.3 scans 94% TIC 0.19% 0.0847% 229 1.5 280 571959 3913486 3613662 1-3 0.997 8.56 -3.9 100 99 98 100 299 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1180 Benzoic acid 9.6697 1243.2 2.6 scans 40% 179 m/z 4.4% 0.00500% 341 1.1 64 24996 231197 206479 1-2 8: 179 105 135 77 180 194 51 136 0.640 9.76 -5.3 96 97 90 97 194 9.2 2.056 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN VEN77_S6-N1002 Glycerol 10.0422 1265.0 5.5 scans 92% TIC 0.013% 3.36% 376 0.3 1230 8424322 155391337 152815712 1-0 0.967 10.09 -3.0 99 97 94 98 299 667.5 29.579 -0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LACTIC~1-N1034 Glycerol 10.0422 1265.0 5.2 scans 29% 73 m/z (300) 0.034% 1.02% 376 0.3 698 3199766 47327678 47041679 0-1 20: 73 133 207 191 74 75 131 59 119 189 134 72 221 105 61 163 107 87 132 57 0.893 10.11 -4.0 82 82 83 91 293 29.9 0.183 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1012 Proline 10.4409 1288.4 5.1 scans 75% TIC 0.70% 0.0274% 414 0.6 125 155106 0.0338% 1268969 1268969 1560750 0-0 0.952 10.53 -5.4 97 97 92 97 216 20.3 2.646 -0.092 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1174 Proline 10.4420 1288.4 3.0 scans 71% 142 m/z 0.68% 0.0207% 414 0.6 122 161298 0.0213% 956949 875808 983550 2-1 7: 142 143 216 144 72 66 217 0.963 10.55 -6.0 96 96 94 96 142 92.4 57.663 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1014 Maleic acid 10.5251 1293.3 2.5 scans 93% TIC 0.23% 0.0864% 422 1.0 288 475061 0.0897% 3993764 3736602 4141991 1-1 1.000 10.60 -4.5 95 94 91 96 245 60.1 4.358 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6672 1301.6 2.7 scans 47% 199 m/z (69) 1.1% 0.0365% 435 1.2 167 94877 1689491 1483590 2-2 18: 199 75 117 145 132 129 200 131 67 81 79 118 61 76 68 72 201 116 0.951 10.73 -4.0 91 92 85 97 209 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1168 Glyceric acid 10.9481 1318.6 2.4 scans 85% 73 m/z 1.0% 0.0275% 462 1.1 168 107760 0.0291% 1272137 1265343 1343723 0-1 20: 73 147 189 292 103 133 205 102 293 190 148 307 117 57 294 74 191 149 101 217 0.990 11.05 -6.3 97 95 93 97 292 48.3 8.240 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0134 1322.5 2.5 scans 56% 184 m/z 4.5% 0.00720% 468 1.0 82 24202 332789 332789 0-0 13: 184 285 134 174 86 100 77 286 185 227 59 135 110 0.863 11.06 -3.0 95 95 88 96 285 25.7 9.819 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1162 Fumaric acid 11.2838 1338.8 2.4 scans 85% 245 m/z 0.48% 0.0332% 494 1.1 188 229048 0.100% 1533542 1512251 4617604 1-2 17: 245 73 147 246 143 247 115 83 148 149 74 155 53 61 157 144 171 0.997 11.39 -6.5 99 98 96 98 245 110.1 34.185 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3816 1344.6 2.9 scans 20% 57 m/z 0.37% 0.0645% 503 1.1 223 295877 0.0834% 2979365 2669482 3851082 4-0 20: 57 97 115 145 127 129 69 111 59 109 128 72 71 87 98 58 201 113 114 110 0.980 11.45 -3.9 96 97 89 96 145 66.6 8.934 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1160 Serine 11.4332 1347.8 2.4 scans 2.4% 204 m/z (215) 0.96% 0.0273% 508 1.1 161 114452 1262679 1196770 1-1 14: 204 218 205 278 100 219 206 188 221 220 306 189 279 190 0.908 11.56 -7.4 87 90 78 91 306 16.3 1.023 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1020 Serine 11.4332 1347.8 2.4 scans 3.3% 204 m/z 0.96% 0.0367% 508 1.1 189 114003 1695207 1606721 1-1 14: 204 218 205 278 100 219 206 188 221 220 306 189 279 190 0.059 11.51 -4.8 83 85 74 87 306 16.3 0.749 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4395 1348.1 4.0 scans 96% 84 m/z 0.014% 2.17% 509 0.3 1118 7776285 100216902 100160958 1-0 20: 84 133 162 161 119 92 118 82 130 85 65 51 78 134 117 63 55 120 163 91 0.990 10.96 29.1 95 95 96 98 161 298.3 7.128 0.483 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1154 Threonine 11.8446 1372.5 2.5 scans 49% 218 m/z 4.8% 0.00671% 547 1.1 79 22713 309945 293746 0-1 14: 218 219 291 117 292 220 100 293 221 128 118 57 203 320 0.839 11.96 -7.0 93 94 62 94 320 9.0 1.279 -0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1148 Glutamine?? 13.2251 1458.2 2.7 scans 71% 155 m/z 0.78% 0.0229% 678 1.1 137 139541 1057441 958299 1-7 10: 155 156 229 139 157 59 100 257 230 211 0.977 13.35 -7.7 95 94 92 96 257 11.8 0.748 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1146 Malic acid 13.5060 1475.9 4.6 scans 98% 73 m/z 0.013% 3.80% 705 0.3 1418 8042037 175896261 175896261 0-0 20: 73 147 189 133 190 148 75 191 175 74 55 234 101 149 217 117 59 246 171 131 1.000 13.62 -6.9 100 100 100 100 350 37.4 0.070 -0.111 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.6870 1487.3 2.6 scans 66% 115 m/z 1.8% 0.0205% 722 1.2 133 59040 947071 939101 0-1 13: 115 100 243 128 244 201 245 72 142 102 86 215 60 0.835 13.81 -7.5 93 92 83 93 243 51.8 15.107 -0.119 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1028 Aspartic acid 13.9563 1504.5 2.4 scans 32% 232 m/z (73) 0.29% 0.0455% 748 1.1 209 371923 2104928 2055520 0-1 19: 232 233 218 100 234 202 188 219 117 306 216 334 101 204 292 220 235 142 203 0.944 14.02 -4.0 92 93 88 96 258 7.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1140 Aspartic acid 13.9648 1505.0 3.4 scans 58% 73 m/z (156) 0.23% 0.137% 749 1.1 306 469885 6358379 5986810 1-1 18: 73 147 75 74 148 133 59 72 149 131 139 61 114 60 87 199 135 105 0.975 14.09 -8.1 96 97 96 98 349 13.9 0.207 -0.122 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 13.9658 1505.1 3.4 scans 74% TIC 0.14% 0.167% 749 1.1 343 764346 7753688 7505444 1-1 0.779 14.03 -4.2 97 96 95 99 258 64.5 3.530 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1138 Pyroglutamic acid 13.9700 1505.4 2.8 scans 75% 156 m/z 0.13% 0.146% 749 1.0 347 842974 6775551 6693094 1-0 19: 156 157 258 230 158 259 231 121 58 140 260 86 66 214 154 273 155 159 98 0.965 14.11 -9.3 98 96 96 99 273 13.5 0.151 -0.140 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1134 GABA 14.1184 1515.2 2.6 scans 64% 174 m/z (69) 0.71% 0.0300% 763 1.2 163 153788 0.0341% 1385569 1385569 1574603 0-0 17: 174 304 175 147 305 176 86 306 216 143 246 100 59 172 130 140 144 0.993 14.24 -8.2 93 93 91 96 304 48.5 8.816 -0.124 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5624 1544.7 2.7 scans 69% 73 m/z 1.6% 0.0213% 806 0.9 135 68204 0.0252% 985288 886120 1163636 0-2 20: 73 292 147 205 220 293 217 117 103 294 148 221 102 133 319 206 74 149 143 291 0.965 14.62 -3.9 88 87 84 89 409 8.7 0.421 -0.059 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6687 1551.7 2.8 scans 59% 174 m/z 1.7% 0.00910% 816 1.1 86 62050 0.0104% 420413 420413 480231 0-0 9: 174 175 86 176 250 100 59 130 251 0.982 14.16 33.4 86 89 83 92 250 18.0 4.389 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1044 Dodecanol 14.7213 1555.2 2.7 scans 88% TIC 0.42% 0.0472% 821 0.8 211 257034 0.0827% 2180600 2163627 3818759 0-1 0.998 14.24 31.8 97 98 98 99 243 116.6 30.545 0.479 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 14.8749 1565.4 2.5 scans 63% 217 m/z 1.3% 0.0102% 835 1.1 98 83799 471736 459212 1-1 4: 217 218 219 129 0.909 15.44 -37.6 80 84 78 86 393 0.0 0.000 -0.565 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1126 Pyrazine 15.0117 1574.4 2.5 scans 38% 227 m/z 8.3% 0.00394% 848 1.0 62 13243 182165 182165 1-0 8: 227 344 301 154 345 228 139 302 0.848 15.13 -8.0 81 80 64 88 344 20.7 11.242 -0.120 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1120 Glutamic acid 15.4515 1603.8 2.5 scans 91% 246 m/z 0.29% 0.0757% 890 1.0 268 367801 3499609 3317358 3-1 19: 246 73 247 128 147 248 348 156 230 100 84 74 218 231 149 363 129 133 148 0.998 15.56 -7.5 97 96 96 98 363 23.9 0.795 -0.108 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1118 Phenylalanine 15.5431 1610.1 2.8 scans 34% 218 m/z 8.8% 0.00200% 899 1.0 41 12498 92402 92402 1-0 3: 218 192 219 0.905 15.66 -8.1 82 87 66 85 294 0.0 0.000 -0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1114 Xylose 15.9755 1640.2 2.7 scans 41% 103 m/z 8.8% 0.00338% 940 0.9 53 12472 0.00734% 156076 133375 338932 3-1 5: 103 307 160 308 189 0.962 16.06 -6.1 86 87 76 87 307 20.0 14.024 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1807 1654.4 4.2 scans 72% TIC 0.40% 0.0655% 959 1.0 199 274135 0.130% 3028651 3028651 6002885 0-0 0.907 16.28 -6.7 98 97 95 99 392 27.4 1.893 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5405 1679.4 2.9 scans 94% TIC 0.29% 0.137% 994 0.9 326 372673 0.198% 6366820 6100442 9142856 3-0 0.998 16.63 -6.0 99 98 98 98 210 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1010 Glycerol-P 17.4738 1746.5 2.9 scans 96% 357 m/z 0.042% 1.35% 1082 0.6 1046 2575959 62634341 61222186 1-1 20: 357 299 73 358 147 315 300 445 370 211 359 103 301 101 387 133 129 256 218 446 1.000 16.97 37.0 96 99 98 99 445 168.3 2.591 0.506 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5464 1751.8 3.3 scans 71% TIC 0.80% 0.0248% 1089 2.1 163 136849 1.12% 1149063 1149063 51717166 0-0 0.990 17.63 -6.2 91 90 85 91 450 23.8 2.149 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1082 Citric acid 18.2398 1802.5 2.7 scans 92% TIC 0.16% 0.249% 1155 0.9 449 659094 11501915 10881067 3-1 0.994 18.32 -6.2 98 97 95 98 465 61.5 1.874 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4292 1817.0 4.3 scans 95% 73 m/z 0.030% 2.55% 1173 0.5 1185 3602022 118036633 117350266 1-0 20: 73 76 135 120 119 132 149 50 136 62 74 78 66 58 118 213 133 90 77 121 0.993 17.91 38.8 95 99 98 99 327 114.1 0.928 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1012 Phytol 18.5713 1827.8 3.6 scans 96% 68 m/z 0.059% 1.63% 1187 0.4 1030 1836223 1.77% 75632931 73509843 81731593 2-0 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 110 85 1.000 18.04 39.7 94 98 99 99 278 62.4 0.367 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1016 Hexadecene 18.6260 1832.0 3.0 scans 83% TIC 0.26% 0.189% 1192 1.4 377 418074 3.95% 8772077 7799504 182395362 0-5 0.981 18.10 39.6 83 82 94 97 280 57.0 2.288 0.523 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6470 1833.6 2.7 scans 51% 285 m/z 1.1% 0.0349% 1194 1.0 173 95471 0.310% 1614607 1448450 14314573 2-4 15: 285 117 132 129 145 286 118 131 287 300 201 241 61 130 257 0.993 18.73 -6.1 94 92 82 95 300 17.1 0.974 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1076 Pregnane?? 18.7628 1842.4 2.6 scans 83% 345 m/z 0.62% 0.0619% 1205 1.0 241 175660 2858535 2770541 1-1 20: 345 73 346 255 147 347 334 256 435 74 372 419 133 148 257 239 335 243 142 348 0.992 18.86 -7.3 96 95 89 95 537 13.9 0.334 -0.095 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1002 Phytol 18.8min 18.8512 1849.1 2.6 scans 92% 81 m/z 0.40% 0.174% 1213 1.1 399 272708 8077228 7999886 0-3 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 124 97 109 278 53 110 111 0.993 18.84 0.8 98 98 98 99 278 47.6 1.424 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1072 Fructose 18.9374 1855.7 2.6 scans 90% 73 m/z 0.15% 0.224% 1221 1.0 436 693574 10344119 9685355 5-0 20: 73 103 217 307 147 308 218 277 133 309 205 74 104 189 117 364 89 219 148 172 0.998 19.03 -7.3 97 96 97 97 364 42.2 0.936 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1052 Fructose 19.0574 1864.9 3.0 scans 79% 73 m/z (273) 0.20% 0.212% 1233 0.8 381 540360 0.451% 9830955 9265379 20825395 0-3 20: 73 307 103 217 147 308 277 218 309 364 104 262 74 89 205 117 133 219 148 263 0.995 19.10 -3.5 94 95 94 95 364 39.6 1.080 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1070 Fructose 19.0606 1865.1 >3 scans 83% TIC 0.18% 0.196% 1233 0.6 391 592169 1.89% 9059420 9059420 87272718 0-0 0.974 19.19 -10.2 94 93 93 94 554 17.2 0.194 -0.133 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0984 1868.0 3.5 scans 95% TIC 0.20% 0.421% 1237 0.8 566 548972 2.09% 19474972 19462104 96507926 0-1 1.000 18.58 39.6 93 95 98 99 278 78.2 1.909 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1068 Galactopyranose 19.2057 1876.2 >1 scans 21% TIC 3.0% 0.000703% 1247 1.0 72 36482 0.474% 32474 32474 21887443 0-0 0.886 19.32 -8.3 83 85 80 84 435 7.3 1.019 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1064 Mannose 19.2699 1881.1 2.6 scans 97% 73 m/z 0.038% 1.06% 1253 0.8 986 2876211 49259081 49259081 0-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 129 189 157 148 207 161 0.999 19.45 -14.1 100 99 99 99 319 362.7 13.552 -0.185 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1062 Glucose 19.5056 1899.1 3.7 scans 79% 73 m/z 0.13% 0.328% 1275 0.9 472 790024 0.451% 15147820 15147820 20825395 0-0 17: 73 74 161 230 72 162 71 85 234 102 244 306 242 113 99 216 237 0.853 19.66 -12.0 88 90 77 91 319 135.5 0.000 -0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1059 Glucose 19.5109 1899.5 2.8 scans 54% 319 m/z 0.14% 0.162% 1276 0.8 367 745573 7503034 7212530 2-1 19: 319 320 160 103 217 321 229 218 291 307 277 233 235 322 104 305 268 376 278 0.594 19.55 -3.2 93 97 63 93 376 16.7 0.207 -0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9128 1931.7 3.1 scans 86% TIC 0.25% 0.113% 1314 1.1 294 433733 0.247% 5226079 5079567 11405482 3-1 0.995 19.91 0.0 95 92 94 99 361 13.4 0.207 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2716 1960.6 2.6 scans 55% 204 m/z 0.84% 0.0259% 1348 1.2 153 130603 1197147 1143879 1-1 8: 204 191 205 206 192 193 279 203 0.977 20.41 -11.4 90 90 90 89 217 33.6 4.820 -0.142 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7904 2002.4 3.0 scans 93% TIC 0.21% 0.450% 1397 0.9 583 505109 0.479% 20802132 19588726 22118324 0-7 0.999 20.27 42.2 82 82 94 97 322 41.2 0.499 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1038 C16:0 21.1639 2033.8 4.0 scans 97% 313 m/z 0.024% 2.85% 1433 0.4 1315 4413571 131763589 131686805 1-0 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 69 133 74 201 315 116 269 1.000 20.62 45.5 94 99 99 100 328 151.3 1.324 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6679 2076.1 2.8 scans 97% TIC 0.044% 1.30% 1481 0.7 1032 2453689 60282008 58301405 2-2 0.999 21.75 -6.8 100 99 99 99 507 67.1 0.423 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8804 2094.0 3.0 scans 66% 319 m/z 0.52% 0.0846% 1501 1.2 242 210943 3910719 3345053 6-7 13: 319 205 147 320 103 217 321 262 206 229 148 89 322 0.939 21.93 -4.1 95 94 89 96 656 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2698 2127.8 >3 scans 56% TIC 1.0% 0.0436% 1538 2.3 195 103932 0.163% 2014629 2014629 7526695 0-0 0.973 22.33 -5.2 94 93 92 96 342 18.1 0.858 -0.060 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1040 Phytol 22.6170 2158.1 3.5 scans 90% 143 m/z 0.056% 0.412% 1571 1.1 520 1957774 19037344 17507251 4-7 20: 143 73 75 144 123 81 57 55 145 124 69 95 103 97 71 83 82 74 67 68 0.997 22.08 46.6 80 82 90 96 181 8.6 0.027 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6885 2164.3 3.6 scans 19% 204 m/z 1.5% 0.0123% 1578 1.9 90 68777 0.0201% 570218 568719 928138 1-0 8: 204 205 249 206 361 218 362 250 0.787 22.71 -2.2 85 86 63 91 518 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1925 2208.7 6.3 scans 93% 75 m/z 0.035% 5.89% 1626 0.2 1514 3098087 6.45% 272211851 269535183 297835465 0-1 20: 75 79 73 95 67 93 108 81 80 91 55 107 94 129 335 121 77 117 135 149 0.996 23.12 6.9 96 95 98 95 350 106.9 0.499 0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1036 C18:0 23.4145 2229.0 2.7 scans 90% 341 m/z 0.082% 0.604% 1647 0.7 727 1337212 27933237 26998495 2-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 343 118 69 201 74 297 116 0.998 22.89 47.2 93 98 98 99 356 95.8 1.736 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7186 2256.8 2.9 scans 34% 163 m/z 0.40% 0.0474% 1676 1.0 198 268776 2192584 2134877 1-3 8: 163 331 164 165 161 88 332 90 0.860 23.72 -0.1 95 96 83 96 331 45.4 5.269 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1006 Androsterone 23.9028 2273.7 3.0 scans 70% TIC 0.24% 0.105% 1693 0.8 347 442483 0.228% 4855739 4845264 10528137 1-0 0.983 23.89 1.3 85 78 79 99 345 19.9 0.328 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1010 Epitestosterone 23.9701 2279.8 3.0 scans 50% 143 m/z 0.81% 0.0488% 1700 1.1 204 135688 0.187% 2256217 2164718 8634920 0-1 16: 143 135 144 80 255 157 187 345 134 175 159 229 360 270 188 202 0.967 23.96 0.9 85 83 89 91 360 14.8 0.526 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1024 Glycerolgalactose 24.1437 2295.7 3.1 scans 34% 204 m/z (333) 0.68% 0.0314% 1716 0.9 151 159489 0.0489% 1451106 1414437 2258008 0-3 11: 204 205 337 217 206 338 218 361 219 339 291 0.974 24.18 -3.4 88 90 82 90 581 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1437 2295.7 3.1 scans 30% 204 m/z 0.69% 0.0252% 1716 0.9 143 159120 0.0393% 1166197 1136728 1814718 0-3 11: 204 205 337 217 206 338 218 361 219 339 291 0.866 24.01 12.2 90 90 70 91 490 0.0 0.000 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2405 2304.7 6.8 scans 77% 143 m/z 0.069% 0.271% 1725 1.4 440 1583496 0.517% 12515554 12091028 23873013 2-0 19: 143 73 144 75 156 145 81 74 272 170 115 109 155 219 130 93 169 157 362 0.988 24.23 0.9 99 98 98 99 362 29.7 0.458 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1014 Androsterone 24.3min 24.2837 2308.8 >3 scans 82% 143 m/z 0.076% 0.207% 1729 1.5 420 1443422 0.545% 9594308 9419904 25165942 0-1 20: 143 73 144 75 145 156 81 95 69 109 155 272 55 74 115 219 170 67 157 279 0.998 24.27 0.9 99 98 99 98 362 26.5 0.400 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1016 Androsterone 24.5min 24.5320 2332.4 3.0 scans 15% 143 m/z (117) 1.3% 0.0141% 1753 0.9 94 81057 654709 545803 3-3 9: 143 144 300 284 180 374 315 301 179 0.854 24.52 1.4 82 87 66 89 362 5.5 0.000 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6866 2347.1 4.1 scans 30% 73 m/z 1.9% 0.0210% 1768 0.5 125 56532 0.0573% 972302 948076 2645887 1-1 20: 73 191 331 421 262 147 217 307 205 103 319 332 117 422 348 305 333 308 259 192 0.815 24.65 3.5 86 87 81 87 466 0.0 0.000 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7708 2355.1 3.0 scans 21% 217 m/z 3.3% 0.00984% 1776 1.0 98 32821 0.0179% 454365 409042 826551 1-2 14: 217 292 204 375 305 219 103 451 293 363 218 233 337 306 0.809 24.81 -3.3 83 85 78 83 451 11.5 1.388 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1018 myo-Inositol 25.2138 2397.2 3.0 scans 40% 318 m/z 1.4% 0.0365% 1818 0.9 162 73579 0.0424% 1688024 1455196 1957864 14-2 16: 318 315 299 387 319 316 389 388 300 320 317 301 230 433 343 432 0.941 25.21 0.4 95 95 91 95 470 12.3 0.575 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6315 2438.5 3.5 scans 38% 91 m/z 0.71% 0.0291% 1858 1.3 139 154372 0.0405% 1344001 1288715 1870130 4-3 16: 91 117 194 207 208 92 115 193 65 51 104 118 178 128 63 102 0.952 25.61 2.2 96 97 92 96 312 17.9 1.642 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1016 Ntb_Cellobiose 26.0566 2480.6 2.9 scans 54% 204 m/z 0.57% 0.0752% 1898 0.9 242 191734 3476756 2659244 18-6 12: 204 205 321 206 322 361 136 97 70 323 56 164 0.917 26.01 4.5 82 75 71 96 361 29.9 1.526 0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1024 Steroid 26.19min 2494 26.2039 2495.1 3.4 scans 29% TIC 1.4% 0.0105% 1912 2.3 128 77589 487261 487261 0-0 0.906 26.19 1.0 87 88 85 93 347 8.0 0.390 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3070 2505.6 3.0 scans 45% 204 m/z 0.51% 0.0480% 1922 1.1 204 214131 0.0785% 2217147 1930632 3624819 17-0 9: 204 217 205 219 206 218 305 101 220 0.950 25.86 44.9 84 86 91 99 361 10.9 0.286 0.451 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5627 2532.0 3.8 scans 57% TIC 0.37% 0.123% 1946 2.0 312 292955 0.329% 5711073 5612205 15191918 0-1 0.919 26.57 -1.1 97 97 90 98 512 95.9 9.477 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9373 2570.7 2.8 scans 88% 371 m/z 0.039% 0.835% 1982 0.7 836 2760931 0.871% 38575291 38474180 40219332 2-0 19: 371 372 147 129 57 205 239 203 373 459 55 71 103 116 145 313 75 101 133 1.000 26.39 56.1 90 97 97 100 459 107.0 1.641 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN LQC1-N1014 Sucrose 27.4413 2623.5 3.5 scans 95% TIC 0.017% 2.60% 2030 0.5 1346 6197931 3.21% 120066871 119883867 148225092 1-1 1.000 27.49 -5.2 100 98 97 100 437 245.9 3.357 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN N479_R~1-N1016 UNKnp_Ntb 27.6min 2641 27.6065 2641.1 3.4 scans 57% 99 m/z 0.26% 0.201% 2045 1.1 392 409338 0.386% 9320054 9320054 17823952 0-0 12: 99 71 189 173 269 100 187 171 287 296 270 273 0.957 27.64 -3.9 90 88 84 93 632 15.7 0.161 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN N479_R~1-N1022 UNKnp_Ntb 28.41min 2728 28.3714 2724.0 3.1 scans 69% 99 m/z (214) 0.18% 0.255% 2118 0.7 391 602617 0.282% 11819034 10560020 13021644 0-6 17: 99 71 173 189 283 171 385 145 100 185 184 187 269 273 196 170 286 0.975 28.41 -4.4 87 87 87 94 603 14.2 0.132 -0.039 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN N479_R~1-N1026 UNKnp_Ntb 28.69min 2759 28.6703 2757.6 2.9 scans 48% 99 m/z 0.43% 0.0498% 2146 0.9 233 252557 0.145% 2300065 2300065 6695526 0-0 17: 99 71 189 283 173 171 103 100 184 385 185 145 169 187 287 288 196 0.965 28.69 -1.8 95 95 95 95 603 7.4 0.102 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7355 2765.0 2.9 scans 90% 399 m/z 0.068% 0.540% 2153 0.7 660 1612285 0.569% 24979108 24774624 26274167 1-0 20: 399 400 73 147 129 57 205 487 203 401 103 55 71 116 145 75 267 117 101 383 0.999 28.19 61.1 87 96 97 99 487 85.4 1.672 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1034 Nonacosane 29.5194 2853.1 2.8 scans 80% 57 m/z 0.14% 0.239% 2227 0.9 457 748933 11074417 10742599 1-1 20: 57 71 85 55 99 69 56 365 83 97 113 70 127 141 111 84 393 366 155 364 0.998 29.50 1.6 93 89 97 98 408 16.8 0.135 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8445 2889.7 2.9 scans 84% 57 m/z 0.11% 0.295% 2258 0.8 501 922784 13635221 13190688 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 126 0.994 29.83 2.0 94 91 98 99 408 32.4 0.419 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4306 2958.7 3.0 scans 51% 193 m/z (57) 0.69% 0.110% 2314 1.0 282 158267 5112000 4725337 2-2 15: 193 119 105 163 120 194 176 91 171 515 247 325 106 185 248 0.912 30.36 8.6 81 81 89 90 529 13.2 0.219 0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4727 2963.7 2.8 scans 70% 57 m/z 0.20% 0.173% 2318 0.8 376 540791 0.207% 8028563 7511361 9558441 1-1 18: 57 71 85 56 393 55 83 99 97 70 113 392 394 127 141 84 58 365 0.992 30.46 1.1 99 98 98 99 393 90.7 5.827 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2229 3052.8 3.2 scans 78% 57 m/z 0.11% 0.342% 2389 0.7 516 917223 15800531 14746762 2-1 20: 57 71 85 55 99 69 83 56 393 97 113 70 127 111 84 141 421 394 155 98 0.985 31.21 1.3 98 96 99 100 393 80.7 2.452 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1048 Hentriacontane 31.5385 3090.3 3.1 scans 83% 57 m/z 0.057% 0.696% 2419 0.6 736 1903617 32142534 31219774 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 72 1.000 31.53 0.8 98 97 99 97 436 44.4 0.364 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6880 3108.1 >6 scans 17% TIC 1.1% 0.00439% 2433 1.3 127 93200 0.378% 202974 196606 17454544 0-1 0.892 31.68 1.5 90 91 82 90 597 17.8 1.948 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8353 3125.6 3.0 scans 87% 502 m/z 0.040% 0.771% 2447 0.6 780 2744285 35636503 34252557 1-1 17: 502 237 503 73 236 504 238 57 277 221 223 208 239 71 74 505 193 0.999 31.79 5.2 100 99 98 100 502 381.0 23.915 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9594 3140.3 3.1 scans 73% 329 m/z 0.33% 0.339% 2459 0.7 525 329533 15697473 14505660 1-1 18: 329 129 368 353 458 95 75 330 107 119 121 105 81 145 328 369 93 91 0.995 31.87 10.9 97 95 95 98 458 78.4 2.233 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1162 3158.9 3.2 scans 21% 57 m/z 0.68% 0.0413% 2474 1.0 204 161333 0.0926% 1909757 1888387 4275901 0-1 15: 57 71 56 85 421 83 70 420 99 422 113 127 84 393 58 0.965 32.11 0.7 94 96 95 96 421 48.3 5.617 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1004 Campesterol 32.7970 3239.8 3.6 scans 51% 343 m/z 0.32% 0.372% 2539 0.6 499 335493 17219105 16494265 1-1 17: 343 129 382 472 367 344 95 121 383 107 119 342 105 145 159 91 473 0.844 32.21 69.7 84 96 84 98 472 78.8 2.489 0.587 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1046 Stigmasterol 32.9990 3263.8 4.4 scans 83% 407 m/z 0.11% 2.02% 2558 0.9 928 987251 3.08% 93416295 75681044 142222206 2-0 12: 407 515 273 195 516 408 487 297 274 409 367 517 0.962 32.98 2.0 98 97 95 99 665 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3483 3305.3 3.8 scans 21% 99 m/z (391) 1.3% 0.0942% 2591 0.7 237 81873 0.137% 4351513 4312859 6326118 1-0 16: 99 437 189 361 71 173 438 287 439 451 271 190 297 453 440 230 0.878 33.38 -3.6 83 83 80 93 529 36.5 2.375 -0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN WTF2-N1034 b-Sitosterol 33.4978 3323.0 3.5 scans 76% TIC 0.15% 0.721% 2605 0.7 782 718318 2.35% 33303993 33303993 108513697 0-0 0.988 32.88 73.7 85 97 97 99 486 114.8 2.157 0.621 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6019 3335.4 3.2 scans 24% 386 m/z 1.4% 0.114% 2615 1.0 295 75853 0.200% 5267505 5126724 9235208 3-9 8: 386 296 387 281 457 394 379 371 0.881 33.58 2.1 85 86 83 92 505 6.7 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8965 3370.4 3.4 scans 11% 441 m/z 0.69% 0.0349% 2643 0.9 154 157993 1611857 1512078 1-2 7: 441 442 646 308 443 647 237 0.882 33.80 12.0 94 94 82 96 646 26.2 2.902 0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2290 3409.9 4.1 scans 6.0% 499 m/z (421) 1.7% 0.0219% 2675 1.3 111 63714 0.0244% 1013264 1002642 1126695 0-1 4: 499 500 383 596 0.742 34.22 1.2 81 88 62 88 499 40.9 13.518 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\RUST_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5931 3453.1 3.8 scans 24% 596 m/z 0.37% 0.0834% 2709 1.0 226 294745 3853012 3658995 1-1 13: 596 597 598 316 302 599 356 318 303 300 286 600 370 0.941 34.47 14.4 97 96 88 99 596 124.8 30.423 0.121 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 1.8 scans 66% 207 m/z 1.9% 0.0178% 27 1.0 125 52116 363599 363599 0-0 11: 207 295 208 209 71 296 191 297 84 129 133 0.971 6.63 -15.0 91 90 71 92 295 36.6 8.529 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1192 Contamination 7.9525 1142.0 2.4 scans 97% 73 m/z 0.080% 0.737% 177 1.0 706 1242323 14996683 14417466 1-1 20: 73 147 133 235 220 59 148 146 72 86 74 75 89 100 160 103 149 131 134 236 1.000 7.99 -2.2 100 98 99 99 235 140.2 3.945 -0.036 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1188 Contamination 8.3103 1163.2 2.3 scans 72% 281 m/z 3.7% 0.0161% 211 1.2 106 26821 0.0676% 329163 317107 1374717 1-0 13: 281 147 369 282 283 370 207 148 265 149 371 249 191 0.892 8.41 -6.2 91 90 65 94 369 29.2 7.573 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1186 Phosphate 8.5039 1174.7 2.4 scans 97% 241 m/z 0.017% 2.12% 230 0.6 1188 5856528 43206737 40775746 1-1 20: 241 242 133 211 73 163 256 243 195 135 98 59 89 147 119 75 137 257 134 121 1.000 8.56 -3.3 100 99 99 100 299 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1180 Benzoic acid 9.6592 1242.6 2.6 scans 74% 179 m/z 3.7% 0.0126% 340 1.1 85 26785 256865 239588 12-0 10: 179 105 135 77 180 51 194 136 106 181 0.923 9.76 -5.9 97 97 91 97 194 14.1 2.739 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN VEN77_S6-N1002 Glycerol 10.0380 1264.8 5.5 scans 92% 299 m/z 0.013% 5.87% 376 0.4 1379 7205051 119432526 116216702 1-1 20: 299 73 300 314 301 133 207 283 315 211 193 191 74 135 316 75 131 59 225 115 0.975 10.09 -3.2 99 98 94 99 299 782.3 32.342 -0.056 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6640 1301.4 2.8 scans 92% 199 m/z 1.1% 0.0971% 435 1.0 240 86892 1975183 1858316 2-1 20: 199 75 73 117 55 145 129 132 131 200 85 57 71 111 84 74 67 76 118 81 1.000 10.73 -4.2 92 87 78 99 209 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1168 Glyceric acid 10.9513 1318.7 2.5 scans 81% 73 m/z 3.3% 0.0173% 462 1.4 106 29451 0.0223% 353266 325892 453494 1-0 18: 73 147 189 57 103 205 133 148 56 102 293 190 59 74 307 149 294 191 0.989 11.05 -6.2 91 89 81 93 292 29.4 7.674 -0.103 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0144 1322.5 2.5 scans 64% 184 m/z 5.1% 0.0126% 468 1.1 90 19552 256283 255405 1-0 13: 184 134 285 174 77 86 100 59 185 135 227 286 172 0.908 11.06 -3.0 92 92 84 93 285 26.7 8.788 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3816 1344.6 2.6 scans 13% 57 m/z 0.30% 0.147% 503 1.4 298 328982 0.209% 2995600 2859268 4250234 3-0 18: 57 97 115 145 127 129 69 111 59 109 72 71 128 98 201 87 113 114 0.989 11.45 -3.9 96 96 94 97 145 86.2 8.343 -0.064 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4500 1348.8 5.5 scans 96% 84 m/z 0.011% 7.59% 510 0.3 1534 8749647 154502486 154349320 1-0 20: 84 133 162 161 119 92 118 65 85 82 130 51 117 78 134 55 63 163 77 91 0.991 10.96 29.8 96 98 97 99 161 409.2 7.124 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN TAB_REP6-N1026 Malic acid 13.4513 1472.4 2.7 scans 91% TIC 0.27% 0.205% 700 0.6 337 365161 4178445 3853877 1-2 0.990 13.53 -5.2 98 97 96 97 335 37.6 1.244 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1028 UNKnp_Ntb 14.3min 1529 14.2615 1524.7 2.5 scans 59% 263 m/z 1.2% 0.0220% 777 1.0 122 77346 448836 438837 0-1 9: 263 264 278 265 239 447 279 175 128 0.970 14.33 -4.3 91 89 83 96 278 32.4 7.043 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6592 1551.1 2.8 scans 91% TIC 0.48% 0.0803% 815 1.4 217 205200 0.144% 1633683 1531586 2928391 2-0 0.999 14.16 32.8 93 94 92 98 250 40.3 3.454 0.494 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1044 Dodecanol 14.7129 1554.6 >3 scans 81% TIC 2.4% 0.0211% 820 1.1 115 40159 0.128% 430376 430376 2603014 0-0 0.994 14.24 31.2 94 97 90 97 243 58.4 25.815 0.471 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.1796 1654.3 2.6 scans 72% 290 m/z 1.3% 0.0297% 959 1.8 127 71931 605048 603122 0-2 7: 290 291 292 158 392 144 115 0.875 16.28 -6.8 93 90 84 98 392 16.8 1.762 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1010 Glycerol-P 17.4728 1746.4 3.0 scans 97% 357 m/z 0.036% 3.50% 1082 0.5 1402 2763886 71366617 70883135 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 133 256 387 129 218 328 1.000 16.97 36.9 96 99 99 99 445 216.9 2.395 0.505 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN TAB_REP6-N1048 Citric acid 18.2293 1801.7 2.8 scans 69% 273 m/z 3.2% 0.0180% 1154 1.3 107 31108 0.0180% 366144 364001 366049 1-0 16: 273 147 363 375 347 274 275 149 465 148 74 364 221 305 231 72 0.973 18.24 -1.1 89 88 84 89 465 14.5 1.858 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN 24_20_~1-N1033 d27-Myristic acid 18.4176 1816.1 4.1 scans 95% TIC 0.033% 4.86% 1172 0.6 1404 2985245 98919995 93261708 1-2 0.980 17.91 37.9 96 99 98 100 327 130.1 0.858 0.510 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1012 Phytol 18.5534 1826.4 2.8 scans 98% 68 m/z 0.065% 2.38% 1185 0.5 1160 1522660 2.64% 48511255 47749311 53687166 1-0 20: 68 95 82 69 57 123 55 81 83 67 97 71 96 109 124 111 56 79 70 110 1.000 18.04 38.3 95 98 99 99 278 64.3 0.308 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1016 Hexadecene 18.6144 1831.1 2.6 scans 92% 70 m/z 0.32% 0.268% 1191 1.1 401 310868 2.04% 5461514 5206212 41485537 0-1 20: 70 69 55 57 71 83 56 111 125 97 126 84 280 85 67 140 112 68 82 98 0.997 18.10 38.7 86 86 93 97 280 55.6 1.925 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN C14-N1006 C14:0 1TMS STD 18.6397 1833.0 2.6 scans 42% 285 m/z 3.1% 0.0283% 1193 1.1 128 31330 0.513% 576952 486411 10432392 13-1 15: 285 117 132 129 145 286 131 118 241 116 130 61 201 287 300 1.000 18.73 -6.7 94 94 81 94 300 12.1 0.902 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1002 Phytol 18.8min 18.8427 1848.5 2.7 scans 94% 81 m/z 0.47% 0.354% 1212 1.0 448 208689 0.375% 7213116 6718517 7626018 1-6 20: 81 82 68 95 57 123 55 69 79 67 83 71 96 97 124 109 56 110 53 111 0.997 18.84 0.2 100 100 100 100 278 48.8 1.188 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1018 Fructose 18.9437 1856.2 2.6 scans 53% 103 m/z 3.7% 0.0151% 1222 0.9 99 26807 0.0162% 307491 307491 329444 0-0 9: 103 217 307 308 218 205 133 277 189 0.956 18.52 31.9 85 87 81 89 364 7.4 0.555 0.419 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0900 1867.4 2.7 scans 97% 81 m/z 0.21% 0.725% 1236 0.7 665 472068 14754873 14370941 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 53 111 278 56 1.000 18.58 39.0 93 96 98 99 278 84.4 1.608 0.511 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1068 Galactopyranose 19.2100 1876.5 2.8 scans 44% 204 m/z 5.6% 0.00756% 1247 1.2 66 17811 0.0110% 153905 153905 223697 0-0 5: 204 191 205 217 206 0.960 19.32 -8.0 82 82 79 83 435 0.0 0.000 -0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN BRA4_R~2-N1004 Galactose 19.2615 1880.4 2.6 scans 48% 319 m/z 5.6% 0.0117% 1252 0.9 86 17601 0.0132% 239535 239535 268436 0-0 6: 319 205 160 321 207 148 0.946 19.36 -7.7 83 83 73 84 364 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2695 1960.4 2.6 scans 36% 204 m/z 5.0% 0.00801% 1348 1.0 72 19796 162912 162912 1-0 5: 204 191 205 217 192 0.961 20.41 -11.6 82 82 80 82 217 17.6 6.023 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7735 2001.0 2.8 scans 93% TIC 0.55% 0.320% 1396 1.1 426 179757 0.337% 6519241 6023249 6853248 1-6 0.999 20.27 40.8 86 87 96 98 322 26.8 0.395 0.508 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1038 C16:0 21.1355 2031.4 3.1 scans 97% 313 m/z 0.050% 2.48% 1430 0.6 1143 1994945 50444885 48656495 1-1 20: 313 117 73 75 132 129 145 314 55 131 328 118 57 133 69 74 201 315 116 269 1.000 20.62 43.1 95 99 99 100 328 124.4 1.186 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6563 2075.2 2.8 scans 62% 305 m/z 4.3% 0.0240% 1480 0.9 120 22890 0.0335% 488879 452840 681258 11-1 17: 305 217 318 147 191 306 265 319 218 307 291 320 432 192 219 148 433 0.988 21.75 -7.7 86 86 84 86 507 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9530 2100.1 2.8 scans 61% 327 m/z 3.3% 0.0302% 1508 1.0 138 29827 614525 564309 1-2 13: 327 117 132 145 129 328 118 342 201 146 76 116 130 0.961 22.33 -32.9 90 93 87 95 342 15.5 1.253 -0.377 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1687 2118.9 2.6 scans 17% 396 m/z 9.4% 0.00552% 1528 1.1 59 10584 0.00698% 112431 106568 141946 1-0 8: 396 219 397 381 221 220 398 191 0.875 22.19 -1.6 84 86 66 86 396 25.6 18.742 -0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1040 Phytol 22.6128 2157.7 3.0 scans 83% 143 m/z 0.066% 0.703% 1571 0.9 590 1496886 1.47% 14307004 12052043 29893990 10-1 17: 143 73 75 144 123 81 57 55 145 124 95 83 103 82 97 68 96 0.991 22.08 46.2 80 82 89 97 181 20.3 0.000 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1042 C18:2 23.0368 2194.7 >6 scans 62% 129 m/z (342) 0.19% 1.28% 1611 1.6 614 507983 10.8% 26207288 25318057 219629315 5-0 20: 129 149 131 143 72 145 111 221 179 201 157 170 119 215 171 353 139 206 146 144 0.969 22.53 43.9 87 96 95 97 352 33.1 0.291 0.503 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1010 a-Linolenic acid 23.1610 2205.8 3.5 scans 79% 79 m/z (169) 0.051% 4.85% 1623 0.5 1499 1955704 8.06% 98787591 98787591 163908544 0-0 20: 79 75 95 108 93 67 73 80 335 129 91 107 81 94 55 121 149 117 135 77 0.986 23.12 4.0 93 95 96 94 350 106.6 0.506 0.044 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN 24_20_~1-N1029 C18:3 NOT CONF 23.1757 2207.2 2.3 scans 39% 357 m/z (73) 0.16% 0.914% 1624 0.9 754 600342 1.73% 18602284 18378990 35181362 0-1 6: 357 358 372 359 373 374 0.998 22.70 41.8 83 89 92 93 372 43.1 0.326 0.475 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2009 2209.5 >3 scans 94% TIC 0.043% 3.03% 1627 1.1 1264 2284627 10.9% 61694695 58396878 221662920 0-5 1.000 23.28 -7.3 90 86 72 94 450 47.4 0.140 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.7 scans 90% 341 m/z 0.18% 0.575% 1645 1.0 608 538308 11709860 10915874 1-4 20: 341 117 73 75 132 129 145 342 55 57 356 133 118 69 131 74 343 201 116 83 1.000 22.89 45.5 94 99 98 99 356 73.5 1.463 0.507 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1004 Prostaglandin 23.7639 2261.0 2.8 scans 96% 73 m/z 0.062% 1.95% 1680 0.8 1076 1596728 39853943 38376127 1-4 20: 73 169 231 143 211 75 147 81 156 195 117 182 181 183 170 221 79 93 107 157 1.000 23.76 0.6 100 99 100 100 360 86.5 0.647 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1018 myo-Inositol 25.2117 2397.0 3.3 scans 79% TIC 0.52% 0.268% 1818 0.8 349 191993 0.403% 5468890 4639986 8195427 0-9 0.971 25.21 0.2 98 97 97 100 470 23.1 0.440 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6094 2436.3 3.3 scans 76% 91 m/z 0.31% 0.143% 1855 1.2 262 317361 2910059 2661200 2-5 20: 91 117 194 207 92 115 65 208 193 103 77 104 312 118 51 78 116 195 128 179 0.978 25.61 -0.0 99 98 97 99 312 29.0 1.231 -0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1024 Steroid 26.19min 2494 26.1945 2494.2 3.1 scans 52% 143 m/z (292) 1.7% 0.0403% 1911 1.1 145 58007 821035 804385 1-1 12: 143 192 177 144 156 272 122 134 136 257 178 189 0.969 26.19 0.1 84 84 87 92 347 8.0 0.307 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3649 2511.6 4.0 scans 61% 73 m/z 1.2% 0.0470% 1927 1.6 153 81475 0.0790% 957459 931214 1606548 0-1 14: 73 217 219 147 218 206 129 305 220 103 191 148 203 221 0.968 25.86 50.9 87 95 92 97 361 0.0 0.000 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5543 2531.1 6.1 scans 66% TIC 0.96% 0.0647% 1945 1.1 201 103630 0.161% 1317390 1257336 3274104 2-0 0.986 26.57 -2.0 94 93 85 94 512 63.5 9.939 -0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9257 2569.5 2.9 scans 95% 371 m/z 0.071% 1.11% 1981 0.8 787 1392851 22573349 22395867 1-0 20: 371 73 372 147 57 129 205 203 55 239 103 373 71 459 116 75 101 145 85 117 1.000 26.39 54.9 91 98 98 100 459 93.7 1.418 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1008 Sucrose 27.4171 2620.9 2.9 scans 56% 361 m/z (397) 1.0% 0.0738% 2027 1.0 208 93987 1502131 1502131 0-0 19: 361 217 362 147 363 437 103 271 218 243 451 438 169 319 219 439 189 364 331 0.971 27.59 -18.6 95 96 89 96 437 36.6 3.103 -0.174 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN LQC1-N1010 Sucrose 27.4171 2620.9 2.9 scans 59% 361 m/z 1.0% 0.0754% 2027 1.0 214 94290 1535301 1535301 0-0 19: 361 217 362 147 363 437 103 271 218 243 451 438 169 319 219 439 189 364 331 0.783 27.58 -17.3 96 96 88 96 437 36.6 2.924 -0.162 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1030 C18:0-1-glycerol 28.7218 2763.4 2.7 scans 91% 399 m/z 0.10% 0.673% 2151 1.0 649 914023 13687357 12886931 1-1 20: 399 73 400 147 57 129 205 203 55 103 401 71 487 116 75 145 117 101 69 85 1.000 28.19 59.5 90 98 98 100 487 78.9 1.477 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1034 Nonacosane 29.5068 2851.7 2.9 scans 81% 57 m/z 0.29% 0.236% 2226 1.0 369 337256 4801495 4391040 1-9 20: 57 71 85 55 56 99 69 83 365 97 70 113 127 111 84 393 141 58 72 98 0.996 29.50 0.2 95 93 98 99 408 12.6 0.117 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1036 Nonacosane 29.82min 29.8266 2887.7 2.8 scans 79% 57 m/z 0.39% 0.159% 2256 1.2 312 252469 0.165% 3246648 3081949 3355448 1-1 20: 57 71 85 55 99 69 83 56 97 70 113 84 127 72 111 141 112 126 58 86 0.997 29.83 -0.0 99 98 99 99 408 18.4 0.349 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4127 2956.6 3.6 scans 74% TIC 0.83% 0.129% 2312 0.8 286 119832 0.474% 2624699 2346310 9639287 4-0 0.980 30.36 6.5 84 83 90 85 529 10.3 0.130 0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1040 Hydrocarbon 30.5min 30.4643 2962.7 2.8 scans 86% 57 m/z (173) 0.16% 0.414% 2317 0.9 487 594759 0.426% 8429543 7930310 8663156 4-1 20: 57 71 85 56 393 55 69 83 99 97 70 113 392 394 111 127 84 141 58 155 0.999 30.46 0.1 98 98 100 100 393 104.4 4.588 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1050 Hydrocarbon 31.2min 31.2134 3051.7 2.7 scans 90% 57 m/z 0.088% 0.801% 2388 0.9 696 1129807 16308125 15543820 2-2 20: 57 71 85 55 99 69 56 83 97 113 393 70 127 111 84 141 155 98 421 58 0.999 31.21 0.2 99 98 99 100 393 99.2 2.034 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1048 Hentriacontane 31.5165 3087.7 2.9 scans 86% 57 m/z 0.10% 0.666% 2417 0.9 619 920432 13551933 13066190 1-3 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 112 58 155 72 0.993 31.53 -1.8 99 97 99 99 436 32.3 0.273 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8111 3122.7 2.8 scans 86% 502 m/z 0.10% 0.591% 2445 0.9 604 965692 12036833 11625755 1-1 16: 502 237 73 503 236 238 504 57 277 221 223 74 208 239 505 193 0.998 31.79 2.3 100 99 98 100 502 286.4 22.482 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1020 Cholesterol 31.9363 3137.6 3.3 scans 78% TIC 0.44% 0.579% 2457 0.7 538 224302 1.75% 11779536 11210054 35588083 2-0 0.964 31.87 8.2 95 94 91 96 458 72.2 1.800 0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1044 Hydrocarbon 32.1min 32.1131 3158.6 3.6 scans 76% TIC 0.16% 0.475% 2474 0.6 494 615905 1.10% 9670539 9370388 22369652 0-1 0.982 32.11 0.4 99 98 99 99 421 101.2 4.200 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1072 UNKnp_Ntb 32.1min 3158 32.2404 3173.7 3.9 scans 33% TIC 1.6% 0.0321% 2486 1.3 177 61595 0.213% 654158 521926 4331578 2-1 0.927 32.11 16.0 88 88 83 92 457 43.0 5.923 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5087 3205.5 >3 scans 50% TIC 0.61% 0.0734% 2511 0.7 275 162368 0.817% 1493548 1493548 16614551 0-0 0.975 32.71 -24.4 89 88 88 93 457 58.7 4.560 -0.205 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NPE1E9~1-N1045 UNKnp_Ntb isomerA 32.56min 32.6402 3221.2 3.6 scans 69% 217 m/z 0.55% 0.353% 2524 0.6 425 181817 1.03% 7179394 6626565 20946129 0-6 20: 217 83 455 71 99 73 169 361 457 109 218 456 229 103 362 147 230 355 97 219 0.991 32.57 8.7 85 79 80 97 457 71.3 2.820 0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1004 Campesterol 32.7854 3238.4 3.6 scans 62% 129 m/z 0.23% 1.02% 2538 0.6 688 416866 1.10% 20903506 20142153 22369652 0-1 20: 129 343 382 73 472 367 95 75 107 121 81 119 145 344 105 383 342 93 159 133 0.945 32.21 68.3 84 95 84 97 472 103.5 2.262 0.575 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1046 Stigmasterol 32.9885 3262.5 3.4 scans 91% 83 m/z 0.11% 2.23% 2557 0.5 1056 902827 45514965 45293698 0-1 20: 83 129 55 255 69 73 81 394 484 75 133 159 119 105 145 93 107 95 91 97 0.992 32.98 0.7 95 93 97 97 665 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1052 Hydrocarbon 33.09min 33.0926 3274.9 3.4 scans 61% 57 m/z 0.15% 0.497% 2567 0.8 510 632661 1.26% 10124452 10075739 25623420 1-0 20: 57 71 55 69 83 56 70 113 97 111 127 84 141 98 155 112 126 72 82 140 0.914 33.10 -0.5 84 85 92 91 515 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN WTF2-N1034 b-Sitosterol 33.4778 3320.6 3.6 scans 83% TIC 0.21% 1.22% 2603 0.8 771 472095 2.47% 24988243 22739684 50230038 6-1 0.995 32.88 71.3 85 97 97 98 486 105.4 1.868 0.601 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1054 Steroid 33.58min 3333 33.5882 3333.8 3.4 scans 64% 386 m/z (99) 0.91% 0.453% 2614 0.8 453 108790 1.08% 9222068 8380871 21962931 2-9 9: 386 296 281 119 387 107 257 105 159 0.991 33.58 0.5 90 89 93 98 505 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7250 3350.0 3.8 scans 59% 217 m/z 0.82% 0.256% 2627 0.7 348 121448 0.762% 5209984 5030427 15496068 0-5 18: 217 485 99 85 204 361 169 486 147 362 479 103 243 109 219 271 205 369 0.980 33.75 -3.5 91 90 89 90 485 77.1 4.901 -0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8839 3368.9 3.2 scans 6.6% 441 m/z 3.5% 0.00903% 2642 1.2 68 28145 183775 183775 0-0 5: 441 442 308 646 443 0.728 33.80 10.5 92 93 62 93 646 12.5 3.345 0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2143 3408.1 3.6 scans 26% 99 m/z 1.3% 0.0619% 2673 1.0 167 73876 1259305 1144502 4-4 8: 99 499 361 169 500 362 100 285 0.943 34.22 -0.6 90 90 84 91 499 44.3 7.022 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP1.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5773 3451.2 3.7 scans 55% 596 m/z 0.44% 0.184% 2708 0.9 287 224379 3758104 3600741 1-3 17: 596 597 598 331 316 318 302 315 599 356 332 317 303 300 342 330 287 0.958 34.47 12.5 97 96 86 99 596 138.1 23.188 0.105 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN EXBLK5S-N1006 Contamination 6.3688 1048.1 2.0 scans 78% 207 m/z 0.70% 0.0399% 27 1.1 205 141094 1249847 1128538 1-5 16: 207 295 208 89 209 74 104 296 119 148 191 297 279 193 189 177 0.981 6.63 -15.2 92 91 79 92 295 50.8 6.120 -0.256 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8749 1078.1 >9 scans 17% 147 m/z 14% 0.00443% 75 0.2 42 7079 0.00967% 138628 138628 302461 0-0 3: 147 117 190 1.000 6.82 3.2 87 90 85 90 295 0.0 0.000 0.054 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8356 1135.1 12.2 scans 58% TIC 2.3% 0.0104% 166 1.5 90 42341 0.416% 327797 327797 13011765 0-0 0.890 7.79 2.5 84 80 81 92 219 6.6 0.541 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1192 Contamination 8.0008 1144.9 2.2 scans 97% 147 m/z 0.061% 0.587% 182 0.9 763 1628549 18360851 17984342 5-0 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 75 103 100 149 131 134 221 0.995 7.99 0.7 99 98 97 99 235 156.2 4.197 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1188 Contamination 8.3080 1163.1 2.1 scans 76% 281 m/z 2.0% 0.0166% 211 1.1 133 47987 519254 519119 1-0 15: 281 147 369 282 283 370 148 265 207 249 371 149 191 74 193 0.895 8.41 -6.3 94 92 68 98 369 36.7 7.595 -0.107 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1186 Phosphate 8.5290 1176.2 2.3 scans 98% 241 m/z 0.029% 0.696% 232 0.9 818 3359697 21782323 21782323 0-0 20: 241 242 133 73 211 163 256 243 195 135 59 98 89 147 119 137 75 134 121 181 1.000 8.56 -1.8 100 99 99 100 299 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN VEN77_S6-N1002 Glycerol 10.0694 1266.6 6.4 scans 95% 299 m/z 0.011% 5.47% 379 0.4 1434 8448784 171294345 170661989 1-0 20: 299 73 314 147 133 205 283 207 211 193 191 117 103 218 135 74 75 225 131 59 0.985 10.09 -1.4 98 97 93 99 299 789.2 30.425 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6828 1302.6 2.6 scans 74% 199 m/z 1.1% 0.0496% 437 0.9 200 90492 1552749 1359314 5-2 17: 199 75 73 117 145 132 129 200 131 118 76 61 81 201 72 155 119 0.941 10.73 -3.0 98 97 92 99 209 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0384 1324.0 2.8 scans 77% TIC 2.6% 0.0199% 471 0.6 122 38405 0.0615% 624041 624041 1923614 0-0 0.961 11.06 -1.5 98 97 93 98 285 36.4 8.995 -0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4004 1345.8 2.5 scans 15% 57 m/z (207) 0.28% 0.105% 505 1.4 294 354991 0.154% 3313608 3021310 4816855 7-0 18: 57 97 115 145 127 69 129 59 111 109 128 72 71 98 87 201 113 114 0.999 11.45 -2.7 95 96 95 97 145 86.5 8.684 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4762 1350.3 6.2 scans 100% 85 m/z 0.011% 5.66% 512 0.2 1444 8832407 177114804 176820092 2-0 12: 85 75 121 129 102 74 59 164 158 171 122 99 0.992 10.96 31.3 96 97 96 99 161 389.7 7.290 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN TAB_REP6-N1026 Malic acid 13.4585 1472.9 2.8 scans 85% TIC 0.42% 0.0985% 701 0.7 266 234536 0.133% 3082091 2837115 4160011 1-2 0.971 13.53 -4.7 96 95 93 95 335 31.2 1.381 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1146 Malic acid 13.4596 1473.0 2.5 scans 87% 73 m/z (158) 0.41% 0.0847% 701 0.9 269 241093 2650289 2594264 2-0 20: 73 147 233 245 133 148 189 190 335 175 74 75 101 191 149 234 55 59 265 217 0.997 13.62 -9.8 94 95 93 95 350 0.0 0.000 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1138 Pyroglutamic acid 13.9530 1504.2 3.0 scans 24% 156 m/z 7.2% 0.00254% 748 1.1 43 13716 79452 79452 0-0 2: 156 157 0.974 14.11 -10.5 85 85 77 90 273 0.0 0.000 -0.157 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6685 1551.7 2.8 scans 88% 174 m/z 0.34% 0.0701% 816 1.1 234 286940 0.0720% 2195255 2195255 2252036 0-0 20: 174 73 175 86 176 250 100 59 91 251 130 74 162 177 117 121 65 87 131 252 0.996 14.16 33.4 92 93 91 97 250 44.6 3.630 0.504 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1044 Dodecanol 14.7180 1555.0 >3 scans 71% TIC 2.4% 0.0154% 820 1.4 115 41245 0.109% 483991 483991 3409333 0-0 0.995 14.24 31.6 92 94 88 96 243 55.1 23.167 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.1847 1654.7 2.9 scans 45% 290 m/z 1.2% 0.0183% 960 1.8 109 79758 574507 515732 1-3 8: 290 291 292 392 158 144 131 115 0.681 16.28 -6.4 89 87 56 97 392 17.1 2.443 -0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5341 1679.0 2.9 scans 58% TIC 3.5% 0.00605% 993 1.0 98 28473 0.0641% 189255 189255 2004938 0-0 0.995 16.63 -6.4 87 87 88 87 210 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1010 Glycerol-P 17.4810 1747.0 3.1 scans 97% 357 m/z 0.030% 2.78% 1083 0.6 1417 3273614 87023677 87023677 0-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 129 133 256 387 218 328 0.999 16.97 37.5 96 99 98 99 445 220.9 2.431 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5484 1751.9 2.6 scans 59% 217 m/z 1.0% 0.0288% 1089 1.0 157 95278 0.362% 902748 902748 11322738 0-0 14: 217 218 147 219 450 191 232 305 148 257 149 451 169 175 0.950 17.63 -6.1 87 86 81 87 450 22.7 2.097 -0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN TAB_REP6-N1048 Citric acid 18.2376 1802.3 2.8 scans 65% 273 m/z 1.6% 0.0289% 1155 1.1 152 59302 906380 857191 2-1 16: 273 363 347 274 375 465 275 364 211 305 257 183 376 466 221 348 0.979 18.24 -0.5 97 96 92 98 465 21.0 1.896 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN 24_20_~1-N1033 d27-Myristic acid 18.4259 1816.7 4.4 scans 95% TIC 0.031% 3.48% 1173 0.5 1343 3199836 109028827 103249886 1-2 0.981 17.91 38.5 96 99 98 100 327 125.3 0.871 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.2 scans 97% 68 m/z 0.057% 1.96% 1186 0.5 1168 1737121 2.14% 61491598 60450501 66935522 2-0 20: 68 95 82 123 69 57 55 81 67 83 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.1 94 98 99 99 278 68.6 0.345 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1016 Hexadecene 18.6237 1831.8 2.6 scans 89% 70 m/z 0.24% 0.236% 1192 1.0 438 413875 1.71% 7389530 7201560 53485861 0-1 20: 70 69 55 57 71 83 56 111 125 97 126 280 84 85 140 67 112 82 68 98 0.996 18.10 39.4 83 83 92 97 280 63.5 2.106 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN C14-N1006 C14:0 1TMS STD 18.6458 1833.5 2.8 scans 46% 285 m/z (70) 2.1% 0.0285% 1194 1.0 144 46582 892244 819477 7-1 15: 285 117 132 129 286 145 287 118 201 300 61 116 241 130 146 0.940 18.73 -6.2 93 95 82 95 300 14.3 0.987 -0.081 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1002 Phytol 18.8min 18.8510 1849.1 2.7 scans 94% 81 m/z 0.34% 0.291% 1213 1.1 489 287685 9115224 8753083 1-4 20: 81 82 68 95 57 123 55 69 67 83 79 71 96 124 97 109 53 56 111 110 0.997 18.84 0.8 100 99 100 100 278 55.0 1.266 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0993 1868.1 2.9 scans 96% 81 m/z 0.17% 0.613% 1237 0.8 679 566080 19201376 18875121 1-1 20: 81 82 68 95 57 123 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 39.7 93 95 98 99 278 90.3 1.767 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1068 Galactopyranose 19.2109 1876.6 2.7 scans 40% 204 m/z 2.9% 0.00878% 1247 1.1 84 33499 0.0145% 274661 257493 453535 5-0 6: 204 191 206 331 218 193 0.969 19.32 -7.9 81 81 82 81 435 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.5497 1902.5 2.7 scans 19% 299 m/z 7.8% 0.00515% 1279 1.1 63 12776 161095 152234 3-1 4: 299 117 132 300 0.984 19.97 -34.1 82 87 58 87 314 0.0 0.000 -0.423 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9137 1931.8 2.6 scans 69% 204 m/z 0.49% 0.0573% 1314 1.2 220 200779 1792934 1671592 2-2 15: 204 217 205 159 147 206 129 218 191 160 219 189 305 291 203 0.935 19.91 0.1 96 95 92 97 361 9.3 0.177 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2757 1960.9 2.9 scans 34% 204 m/z 3.4% 0.00836% 1349 1.1 81 29131 261644 256618 1-1 6: 204 191 205 206 192 218 0.968 20.41 -11.1 81 81 78 83 217 20.1 6.124 -0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7860 2002.0 2.8 scans 94% TIC 0.20% 0.547% 1397 0.9 667 483825 0.583% 17135931 16764865 18235238 1-2 1.000 20.27 41.8 82 82 94 98 322 45.0 0.456 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1038 C16:0 21.1543 2033.0 3.5 scans 97% 313 m/z 0.028% 3.02% 1432 0.5 1385 3536377 94723284 94688517 1-0 20: 313 117 73 75 132 129 145 314 55 328 131 133 118 57 69 201 315 74 269 116 1.000 20.62 44.7 94 99 99 100 328 159.8 1.332 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9613 2100.8 2.9 scans 40% 327 m/z (143) 1.5% 0.0406% 1509 1.1 172 64402 1270126 1218210 2-2 11: 327 117 132 145 328 342 329 201 283 61 116 0.866 22.33 -32.2 90 96 77 96 342 22.3 1.685 -0.369 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1040 Phytol 22.6210 2158.4 4.0 scans 76% 143 m/z 0.079% 0.474% 1571 1.3 498 1256674 1.00% 14841407 12187572 31278281 11-0 16: 143 73 75 144 123 81 57 124 145 95 103 97 82 83 68 96 0.984 22.08 46.9 81 83 89 98 181 20.6 0.170 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2029 2209.7 7.0 scans 81% TIC 0.037% 9.40% 1627 0.5 1589 2635526 10.2% 294065332 277935331 319038470 0-4 0.919 23.12 7.9 95 96 95 95 350 108.8 0.469 0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2345 2212.6 3.9 scans 73% 169 m/z (79) 0.052% 2.45% 1630 0.4 1062 1903662 2.53% 76736886 72692084 79134052 6-1 16: 169 143 231 211 156 170 181 183 195 141 232 182 269 197 144 196 0.960 23.28 -4.2 87 87 73 93 450 47.3 0.199 -0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1036 C18:0 23.4133 2228.9 2.7 scans 91% TIC 0.11% 0.660% 1647 0.9 710 857492 0.712% 20664908 18458168 22270136 3-4 0.996 22.89 47.1 93 99 97 99 356 89.2 1.577 0.524 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1004 Prostaglandin 23.7764 2262.1 2.9 scans 94% 73 m/z 0.055% 1.61% 1681 0.7 1091 1812451 50461434 46934807 2-10 20: 73 169 231 143 211 147 75 81 156 195 117 182 183 181 221 170 93 79 107 317 0.999 23.76 1.7 100 98 99 100 360 92.1 0.712 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1478 2296.0 3.2 scans 25% 204 m/z 1.1% 0.0241% 1717 0.8 128 87020 0.0282% 755288 633474 882048 2-12 17: 204 217 205 337 147 103 206 219 338 218 361 191 339 203 189 243 221 0.692 24.01 12.5 88 89 71 91 490 0.0 0.000 0.138 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1012 Androsterone 24.23min 24.2372 2304.4 3.0 scans 24% 143 m/z (180) 1.1% 0.0144% 1725 1.2 108 86705 0.0297% 451466 451466 928965 0-0 4: 143 144 156 272 0.910 24.23 0.6 81 84 77 85 362 9.7 0.796 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1018 myo-Inositol 25.2157 2397.4 3.5 scans 73% TIC 0.35% 0.292% 1818 1.2 396 282104 0.450% 9155750 7319900 14075227 0-9 0.943 25.21 0.6 96 94 94 100 470 26.7 0.455 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6219 2437.5 3.3 scans 52% 91 m/z 0.54% 0.0523% 1857 1.3 185 184757 0.0655% 1636090 1490823 2048727 5-3 17: 91 117 194 207 92 115 208 65 193 312 104 51 118 178 102 179 128 0.944 25.61 1.2 96 96 97 98 312 21.9 1.402 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1024 Steroid 26.19min 2494 26.2038 2495.1 3.2 scans 43% 143 m/z (292) 1.1% 0.0442% 1912 0.9 162 85464 0.0480% 1385290 1185093 1501358 2-11 6: 143 192 177 144 272 178 0.923 26.19 1.0 84 85 87 93 347 10.9 0.454 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3006 2504.9 3.0 scans 50% 204 m/z 0.87% 0.0351% 1921 1.1 168 113851 0.160% 1100720 1018497 5004525 3-1 10: 204 217 205 147 219 206 218 305 220 232 0.960 25.86 44.2 88 93 93 98 361 6.2 0.000 0.445 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5594 2531.7 2.8 scans 41% 512 m/z (129) 1.3% 0.0436% 1946 1.0 182 74069 1364515 1284106 1-1 17: 512 455 247 513 456 483 514 248 263 349 457 497 423 484 249 235 261 0.944 26.57 -1.4 93 94 83 95 512 62.7 11.838 -0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9371 2570.7 2.9 scans 94% 371 m/z 0.044% 1.07% 1982 0.7 912 2253170 33746890 33562670 1-0 20: 371 372 73 147 129 205 57 203 239 373 103 55 459 71 116 145 75 101 85 117 1.000 26.39 56.1 90 98 98 100 459 112.6 1.529 0.543 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1008 Sucrose 27.4233 2621.6 3.0 scans 31% 361 m/z (397) 1.2% 0.0400% 2028 0.9 172 82075 1253697 1207228 1-1 13: 361 362 437 363 271 438 451 364 452 439 320 272 331 0.942 27.59 -17.9 93 95 84 95 437 33.0 3.671 -0.168 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN LQC1-N1014 Sucrose 27.4233 2621.6 3.0 scans 26% 361 m/z 1.2% 0.0324% 2028 0.9 158 82229 1014224 976631 1-1 13: 361 362 437 363 271 438 451 364 452 439 320 272 331 0.783 27.49 -7.1 95 95 78 95 437 33.0 4.360 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1030 C18:0-1-glycerol 28.7311 2764.5 3.0 scans 92% 399 m/z 0.073% 0.674% 2152 0.9 721 1352758 21084516 21084516 0-0 20: 399 400 73 147 129 57 205 203 103 55 401 487 71 116 145 75 85 117 101 69 0.999 28.19 60.6 89 98 98 100 487 89.2 1.533 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1034 Nonacosane 29.5161 2852.8 3.0 scans 77% 57 m/z 0.24% 0.190% 2227 1.0 381 400148 0.199% 5965949 5780372 6224378 2-3 20: 57 71 85 55 99 56 69 365 83 97 70 113 127 111 141 84 366 364 393 155 0.997 29.50 1.3 94 92 97 99 408 12.9 0.114 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1036 Nonacosane 29.82min 29.8360 2888.7 3.0 scans 73% 57 m/z 0.32% 0.139% 2257 1.4 328 303833 4374474 4017758 1-4 20: 57 71 85 55 99 69 83 97 56 70 113 127 84 141 111 98 72 58 86 112 0.994 29.83 1.0 99 98 99 100 408 19.0 0.338 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4231 2957.8 >5 scans 72% TIC 0.53% 0.163% 2313 0.7 325 187260 0.521% 5123380 5098870 16295985 2-0 0.878 30.36 7.7 84 84 88 87 529 11.5 0.125 0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1040 Hydrocarbon 30.5min 30.4757 2964.1 3.0 scans 85% 57 m/z 0.11% 0.426% 2318 0.8 568 881224 0.435% 13352207 12542656 13606052 4-1 20: 57 71 85 56 393 55 69 99 83 97 70 113 392 394 127 111 141 84 58 155 1.000 30.46 1.5 99 97 99 100 393 130.7 5.302 0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1050 Hydrocarbon 31.2min 31.2227 3052.8 3.2 scans 88% TIC 0.081% 0.655% 2389 0.7 691 1223142 20496726 19476379 4-1 0.997 31.21 1.3 99 97 99 100 393 102.4 2.193 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1048 Hentriacontane 31.5258 3088.8 2.9 scans 81% 57 m/z 0.097% 0.524% 2418 0.8 628 1027938 16412756 15126882 1-3 20: 57 71 85 55 99 69 83 97 56 113 70 127 84 111 141 98 155 112 58 169 0.992 31.53 -0.7 95 93 99 99 436 35.1 0.313 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6920 3108.6 3.1 scans 12% 204 m/z 2.4% 0.00563% 2434 0.7 97 41425 0.00670% 176207 176207 209564 0-0 9: 204 597 337 205 73 217 598 103 191 0.768 31.68 2.0 80 84 77 83 597 13.7 1.970 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8246 3124.3 3.0 scans 84% 502 m/z 0.068% 0.608% 2446 0.7 676 1451960 19044358 18320272 1-1 17: 502 237 503 73 236 238 504 57 277 221 223 208 71 74 239 505 193 0.996 31.79 3.9 100 99 98 100 502 327.2 23.426 0.033 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1020 Cholesterol 31.9519 3139.4 3.3 scans 68% 329 m/z (551) 0.33% 0.532% 2458 0.8 573 299613 16663621 15301527 2-1 15: 329 129 368 458 353 95 330 121 107 145 328 119 105 369 159 0.996 31.87 10.0 93 94 94 97 458 83.5 2.123 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1044 Hydrocarbon 32.1min 32.1245 3159.9 3.2 scans 73% 57 m/z 0.10% 0.511% 2475 0.7 596 946092 0.633% 16000181 14928736 19799152 3-1 20: 57 71 56 85 421 55 69 97 99 83 70 113 422 420 111 127 141 84 58 155 0.992 32.11 1.7 98 96 99 100 421 134.1 5.066 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1072 UNKnp_Ntb 32.1min 3158 32.2465 3174.4 4.1 scans 40% TIC 0.66% 0.0583% 2486 1.1 267 149328 1824854 1664014 1-0 0.960 32.11 16.7 91 90 86 95 457 68.1 6.495 0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.4254 3195.7 4.0 scans 42% 85 m/z 0.58% 0.123% 2503 1.3 322 170879 0.940% 3855971 3855971 29401585 0-0 15: 85 457 217 57 169 361 458 218 109 362 230 229 451 127 170 0.965 32.71 -34.2 90 93 90 96 457 82.5 6.552 -0.289 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NPE1E9~1-N1045 UNKnp_Ntb isomerA 32.56min 32.5170 3206.5 6.5 scans 40% 85 m/z 0.46% 0.177% 2512 1.9 322 215204 0.753% 5561060 5561060 23552546 0-0 9: 85 57 169 361 253 355 86 229 230 0.791 32.57 -6.0 89 96 80 95 457 64.8 0.000 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1004 Campesterol 32.8042 3240.6 3.7 scans 67% TIC 0.15% 1.12% 2539 0.7 828 632571 35206290 32322510 4-1 0.779 32.21 70.5 83 95 86 98 472 124.1 2.247 0.594 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1046 Stigmasterol 33.0115 3265.3 3.8 scans 89% 83 m/z 0.074% 2.50% 2559 0.5 1229 1350444 78431597 76111476 1-0 20: 83 129 255 55 69 81 394 73 484 133 75 159 119 105 145 107 93 95 97 355 0.992 32.98 3.5 96 94 98 97 665 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN WTF2-N1034 b-Sitosterol 33.4966 3322.9 3.7 scans 81% 129 m/z 0.13% 1.34% 2605 0.6 921 745697 1.55% 42055762 39946025 48481336 1-4 19: 129 357 396 486 381 95 75 107 121 119 145 358 81 397 57 105 356 159 55 0.998 32.88 73.6 85 97 98 99 486 132.9 2.082 0.620 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1054 Steroid 33.58min 3333 33.6028 3335.5 3.6 scans 55% TIC 0.79% 0.179% 2615 1.3 450 125324 0.492% 5624143 5471624 15388914 1-0 0.948 33.58 2.2 91 89 94 98 505 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8953 3370.2 3.4 scans 9.5% 441 m/z 1.8% 0.0171% 2643 1.0 105 54533 536720 513284 1-1 6: 441 442 308 646 443 647 0.923 33.80 11.8 93 94 79 94 646 18.4 3.071 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2236 3409.2 3.6 scans 20% 99 m/z 1.2% 0.0513% 2674 1.2 178 82581 1607531 1485767 1-3 6: 99 499 500 100 383 451 0.898 34.22 0.5 88 89 84 94 499 45.3 6.471 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP2.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5877 3452.5 3.9 scans 44% 596 m/z 0.31% 0.168% 2709 0.9 309 316564 5257793 4966960 1-3 16: 596 597 598 331 316 302 599 315 318 356 332 303 300 317 330 342 0.965 34.47 13.8 97 95 86 99 596 152.8 24.466 0.116 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN EXBLK5S-N1006 Contamination 6.3710 1048.3 1.9 scans 70% 207 m/z 0.62% 0.0255% 27 1.2 180 160281 0.0324% 829631 824817 1050792 1-0 17: 207 73 295 208 209 296 191 297 279 193 192 177 189 205 247 210 119 0.952 6.63 -15.0 98 97 92 97 295 58.4 10.544 -0.254 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.8789 1137.6 3.4 scans 45% 147 m/z 4.4% 0.00385% 170 1.6 62 22251 0.0832% 124962 124962 2698331 0-0 7: 147 73 148 74 149 66 72 0.929 7.79 5.0 86 89 80 89 219 8.4 1.884 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1192 Contamination 8.0419 1147.3 2.3 scans 94% 147 m/z 0.19% 0.198% 186 0.8 425 522190 6452001 6153998 7-0 19: 147 73 133 220 235 148 59 146 72 86 74 160 100 89 149 103 134 131 236 0.972 7.99 3.1 96 95 96 97 235 85.4 4.035 0.053 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1188 Contamination 8.3166 1163.6 2.1 scans 73% 281 m/z 1.8% 0.0155% 212 1.0 128 52779 504808 504808 0-0 16: 281 147 369 282 283 370 249 371 265 148 207 191 149 284 193 251 0.932 8.41 -5.8 97 96 78 98 369 37.2 8.428 -0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1186 Phosphate 8.5628 1178.2 2.3 scans 96% 241 m/z 0.070% 0.276% 235 1.1 510 1409642 8955400 8541815 1-1 20: 241 242 133 73 211 163 243 256 135 195 98 59 89 147 119 137 134 212 121 75 1.000 8.56 0.2 100 99 99 100 299 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1180 Benzoic acid 9.7223 1246.3 2.8 scans 33% 179 m/z 5.1% 0.00586% 345 1.3 66 19348 0.00666% 190086 189232 215996 0-1 7: 179 105 135 77 180 194 51 0.653 9.76 -2.2 91 90 85 96 194 10.3 2.423 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN VEN77_S6-N1002 Glycerol 10.0885 1267.7 5.2 scans 93% TIC 0.011% 4.43% 380 0.3 1387 8488997 143987789 141436904 1-1 0.969 10.09 -0.3 99 98 95 99 299 772.1 31.165 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7061 1304.0 2.6 scans 75% 199 m/z (69) 1.1% 0.0500% 439 1.0 194 87107 1624797 1411556 5-2 14: 199 75 117 145 132 129 131 200 118 76 61 201 155 119 0.996 10.73 -1.6 97 98 96 99 209 0.0 0.000 -0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1168 Glyceric acid 10.9881 1321.0 2.6 scans 64% 73 m/z 3.6% 0.00970% 466 1.0 92 27512 0.0122% 314759 272935 395669 5-1 16: 73 292 147 189 103 205 133 102 190 307 293 148 59 74 117 294 0.945 11.05 -3.9 89 87 83 93 292 28.2 9.406 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0565 1325.1 2.7 scans 52% 184 m/z 4.9% 0.00785% 472 0.9 81 20127 0.0101% 254875 254170 327562 1-0 13: 184 285 134 174 100 185 86 77 59 227 286 172 135 0.992 11.06 -0.4 89 88 82 92 285 26.3 10.582 -0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1162 Fumaric acid 11.3174 1340.8 2.3 scans 21% 245 m/z 9.3% 0.00178% 497 1.1 42 10641 57845 57845 0-0 3: 245 246 143 0.722 11.39 -4.5 85 89 70 93 245 27.3 42.226 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4184 1346.9 2.7 scans 14% 57 m/z (207) 0.34% 0.0947% 507 1.2 256 292144 0.136% 3072397 2665277 4410733 7-0 19: 57 97 115 145 127 129 69 111 109 59 128 72 71 98 87 201 114 113 95 0.998 11.45 -1.6 94 96 93 96 145 75.7 8.781 -0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4931 1351.4 5.6 scans 97% 84 m/z 0.011% 4.80% 514 0.3 1401 8708462 155732080 155609132 1-0 20: 84 133 161 162 119 92 118 82 65 85 130 51 78 117 134 55 63 77 91 120 0.994 10.96 32.4 95 97 97 99 161 378.6 7.310 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1146 Malic acid 13.4734 1473.8 2.6 scans 94% TIC 0.14% 0.242% 702 0.9 450 699208 0.261% 7880066 7458095 8464716 1-4 0.995 13.62 -9.0 99 98 97 98 350 10.0 0.050 -0.144 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5782 1545.7 2.6 scans 53% 73 m/z 2.5% 0.0161% 807 0.9 114 38727 0.0167% 524398 484939 541612 1-1 20: 73 292 147 205 220 293 217 103 148 221 294 143 74 133 102 206 319 149 130 131 0.930 14.69 -7.5 84 84 80 88 409 0.0 0.000 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6845 1552.7 >3 scans 80% TIC 1.1% 0.0164% 817 1.4 123 83544 0.160% 532510 532510 5189098 0-0 0.998 14.16 34.4 91 93 90 96 250 23.6 3.665 0.519 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1044 Dodecanol 14.7350 1556.1 2.6 scans 66% 243 m/z 1.5% 0.0182% 822 0.9 124 63783 591202 574752 4-1 12: 243 244 103 89 97 83 245 101 61 111 76 115 0.958 14.24 32.7 92 95 90 96 243 66.9 29.034 0.493 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.1965 1655.5 2.9 scans 47% 290 m/z 1.1% 0.0180% 961 1.8 109 84664 586186 555223 1-3 10: 290 291 292 392 158 144 131 115 293 393 0.701 16.28 -5.6 90 89 60 97 392 17.5 2.589 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5479 1679.9 2.9 scans 73% TIC 1.8% 0.0176% 994 1.1 139 54090 0.0737% 573841 573841 2390228 0-0 1.000 16.63 -5.5 94 93 95 93 210 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1010 Glycerol-P 17.4886 1747.6 2.7 scans 98% 357 m/z 0.032% 2.25% 1084 0.5 1326 3052392 73062111 72005873 0-1 20: 357 299 73 358 147 315 300 370 445 211 359 101 103 301 256 387 129 133 218 328 1.000 16.97 38.1 96 99 99 99 445 209.4 2.495 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN TAB_REP6-N1048 Citric acid 18.2472 1803.1 3.0 scans 64% 273 m/z 1.5% 0.0316% 1156 1.3 151 63375 0.0342% 1025473 1025473 1109170 0-0 17: 273 147 363 347 274 375 275 211 148 364 183 149 221 348 231 466 257 0.956 18.24 0.3 96 95 90 97 465 20.6 1.862 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN 24_20_~1-N1033 d27-Myristic acid 18.4366 1817.5 4.2 scans 94% TIC 0.030% 3.27% 1174 0.6 1310 3226210 106350083 100648677 1-2 0.982 17.91 39.3 95 99 98 100 327 124.2 0.899 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1012 Phytol 18.5734 1827.9 3.0 scans 97% 68 m/z 0.065% 1.63% 1187 0.5 1073 1533326 1.83% 53081692 52525675 59350309 1-0 20: 68 95 82 123 57 69 55 81 83 67 97 71 96 109 124 111 79 56 70 110 1.000 18.04 39.8 94 98 99 99 278 63.8 0.354 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1016 Hexadecene 18.6334 1832.5 2.7 scans 90% 70 m/z 0.29% 0.194% 1192 1.2 391 338612 1.41% 6295089 6096164 45728926 0-1 20: 70 69 57 71 55 83 56 111 125 97 126 84 280 85 140 67 112 98 82 68 0.997 18.10 40.1 82 81 92 97 280 56.7 2.098 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN C14-N1006 C14:0 1TMS STD 18.6586 1834.4 2.6 scans 50% 285 m/z 1.8% 0.0266% 1195 1.0 150 54975 864168 817999 2-1 15: 285 117 132 129 286 145 118 300 287 116 201 61 257 130 241 0.998 18.73 -5.3 94 94 82 94 300 15.1 1.013 -0.068 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1002 Phytol 18.8min 18.8627 1850.0 2.7 scans 93% 81 m/z 0.39% 0.251% 1214 1.1 445 254299 8148941 7659478 1-3 20: 81 82 95 68 57 123 55 69 83 67 79 71 97 96 124 109 53 111 278 56 0.996 18.84 1.7 100 99 99 100 278 51.2 1.324 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1018 Fructose 18.9532 1856.9 2.9 scans 66% 73 m/z (69) 1.7% 0.0313% 1223 0.7 144 57004 0.0450% 1017782 899749 1459434 0-3 19: 73 103 307 217 147 308 277 218 309 104 133 205 189 89 364 117 148 172 105 0.983 18.52 32.6 86 90 86 93 364 13.1 0.834 0.428 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9532 1856.9 3.8 scans 69% TIC 1.3% 0.0201% 1223 0.8 147 71847 0.233% 652865 652865 7556624 0-0 0.986 18.40 41.9 90 95 94 96 364 13.1 0.801 0.549 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1100 1868.9 2.8 scans 93% 81 m/z (99) 0.18% 0.528% 1238 0.7 631 534992 17144019 16844115 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 0.999 18.58 40.5 91 96 98 99 278 80.8 1.637 0.531 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN BRA4_R~2-N1004 Galactose 19.2741 1881.4 2.7 scans 52% 319 m/z 2.3% 0.0198% 1253 0.9 126 43474 0.0368% 645352 627022 1193493 0-2 12: 319 205 160 320 321 206 148 189 89 207 161 157 0.983 19.36 -6.7 92 92 85 93 364 6.2 0.245 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.5624 1903.6 2.5 scans 11% 299 m/z 8.7% 0.00381% 1281 0.9 56 11446 123674 123674 0-0 2: 299 300 0.972 19.97 -33.0 81 86 59 86 314 0.0 0.000 -0.411 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9265 1932.8 2.8 scans 78% 204 m/z 0.28% 0.111% 1315 1.3 288 351356 3628950 3450166 3-1 17: 204 217 159 205 147 206 129 218 103 191 189 160 133 148 219 291 243 0.979 19.91 1.1 96 95 94 98 361 13.5 0.219 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.8030 2003.4 2.9 scans 93% 73 m/z 0.17% 0.690% 1399 0.8 715 566734 0.718% 22393438 21443691 23286077 2-1 20: 73 75 79 67 93 95 91 129 108 80 55 117 81 94 307 121 77 107 135 145 0.999 20.27 43.2 82 82 94 98 322 48.7 0.463 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1038 C16:0 21.1702 2034.3 3.6 scans 97% 313 m/z 0.028% 2.97% 1434 0.3 1330 3517989 96508848 93222238 1-1 20: 313 117 73 75 132 129 145 314 55 328 131 133 201 118 315 57 69 269 74 285 1.000 20.62 46.0 94 99 99 100 328 154.2 1.345 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6763 2076.8 2.9 scans 41% 305 m/z 3.4% 0.0176% 1482 1.0 115 29269 0.0197% 572148 544129 638908 3-2 16: 305 217 318 191 306 319 265 218 432 307 433 320 367 219 291 192 0.977 21.75 -6.1 89 89 75 89 507 6.6 0.326 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9741 2101.9 3.0 scans 27% 327 m/z (143) 1.8% 0.0279% 1510 1.2 140 52991 905028 845570 2-1 10: 327 117 132 328 342 329 283 299 313 343 0.851 22.33 -31.1 89 95 70 94 342 21.4 2.324 -0.356 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1040 Phytol 22.6317 2159.4 4.0 scans 70% 143 m/z 0.097% 0.366% 1572 1.3 433 1029248 0.754% 11900307 9875103 24453625 11-0 13: 143 75 144 123 81 124 145 103 97 82 68 74 96 0.968 22.08 47.9 80 84 88 98 181 18.5 0.000 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2125 2210.6 6.6 scans 84% TIC 0.035% 9.32% 1628 0.5 1627 2806383 9.99% 302572684 282737689 323994309 0-4 0.929 23.12 8.8 95 97 96 95 350 110.7 0.463 0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2430 2213.3 5.4 scans 62% 169 m/z (79) 0.075% 1.86% 1631 0.4 856 1316886 1.92% 60546811 57409424 62269176 6-1 20: 169 231 143 211 156 170 181 183 195 141 232 182 197 196 209 270 360 212 345 223 0.938 23.28 -3.5 84 85 65 90 450 40.9 0.228 -0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1036 C18:0 23.4240 2229.9 2.7 scans 88% 341 m/z 0.11% 0.609% 1648 0.8 693 880686 19764027 18644522 2-3 20: 341 117 73 75 132 129 145 342 55 356 57 133 118 131 69 201 74 343 116 130 0.996 22.89 48.1 93 99 98 99 356 89.9 1.685 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7344 2258.3 2.7 scans 14% 163 m/z (337) 2.0% 0.0143% 1677 1.2 100 49378 0.0264% 464135 413281 856201 2-0 3: 163 331 90 0.801 23.72 1.4 83 84 67 91 331 23.4 5.463 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1004 Prostaglandin 23.7860 2263.0 2.9 scans 92% 73 m/z (333) 0.066% 1.38% 1682 0.8 970 1511099 45068517 39435290 6-11 20: 73 169 231 143 211 147 156 81 75 195 117 182 183 181 170 221 317 79 93 107 1.000 23.76 2.6 98 99 99 99 360 82.2 0.719 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1605 2297.2 3.3 scans 31% 204 m/z 0.76% 0.0344% 1718 0.8 154 130384 0.0459% 1117738 1078134 1488623 0-5 18: 204 205 217 337 147 103 206 219 338 218 191 361 101 189 203 243 231 319 0.669 24.18 -1.9 88 89 69 90 581 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1605 2297.2 3.3 scans 29% 204 m/z (333) 0.75% 0.0364% 1718 0.8 151 132412 0.0485% 1181116 1139267 1572945 0-5 18: 204 205 217 337 147 103 206 219 338 218 191 361 101 189 203 243 231 319 0.882 24.01 13.7 88 90 70 91 490 0.0 0.000 0.151 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1012 Androsterone 24.23min 24.2500 2305.6 3.0 scans 17% 143 m/z 1.4% 0.00935% 1726 1.2 90 70149 0.0205% 303312 303312 664853 0-0 2: 143 144 0.901 24.23 1.8 81 83 70 82 362 6.8 0.576 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1018 myo-Inositol 25.2275 2398.5 3.6 scans 72% TIC 0.42% 0.255% 1819 1.2 360 234136 0.392% 8271450 6092179 12713290 0-10 0.947 25.21 1.7 97 95 95 100 470 25.3 0.496 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6378 2439.1 3.4 scans 44% 91 m/z 0.71% 0.0389% 1858 1.5 155 140307 0.0509% 1263893 1139267 1650782 4-3 16: 91 117 194 207 92 208 115 193 312 65 104 51 118 179 63 178 0.962 25.61 2.8 95 94 95 96 312 19.6 1.601 0.028 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1024 Steroid 26.19min 2494 26.2176 2496.5 3.4 scans 23% 143 m/z 1.7% 0.0209% 1913 1.0 115 56562 0.0296% 679679 624138 959983 4-0 6: 143 192 177 144 272 136 0.718 26.19 2.4 81 88 69 87 347 10.0 0.000 0.025 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3176 2506.7 3.5 scans 53% TIC 0.54% 0.0384% 1923 1.3 217 184818 0.147% 1247146 1247146 4767484 0-0 0.966 25.86 46.0 87 90 92 99 361 10.5 0.236 0.462 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5732 2533.1 2.9 scans 31% 512 m/z 1.5% 0.0408% 1947 1.1 175 64641 1325923 1297143 1-1 16: 512 455 247 513 456 483 514 248 263 349 457 497 484 423 235 309 0.951 26.57 -0.0 93 93 78 94 512 63.1 12.963 0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9499 2572.0 2.9 scans 90% 371 m/z 0.037% 1.21% 1983 0.7 961 2680513 39544221 37122980 2-1 20: 371 372 73 147 129 57 205 203 239 459 373 55 103 71 116 145 75 101 85 117 1.000 26.39 57.4 90 98 98 100 459 122.4 1.626 0.556 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN LQC1-N1008 Sucrose 27.4350 2622.8 3.0 scans 44% 361 m/z 0.40% 0.117% 2029 0.9 298 249241 3826287 3729435 0-4 10: 361 362 437 363 271 438 451 439 364 452 0.937 27.59 -16.7 97 97 89 97 437 55.4 3.465 -0.156 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1030 C18:0-1-glycerol 28.7471 2766.3 3.0 scans 91% 399 m/z 0.063% 0.770% 2154 0.8 750 1577136 24975828 23524081 1-1 20: 399 400 73 147 129 57 205 203 103 401 487 55 71 116 145 75 117 267 101 85 0.999 28.19 62.4 89 98 97 100 487 95.5 1.624 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1034 Nonacosane 29.5278 2854.1 3.4 scans 66% 57 m/z 0.41% 0.120% 2228 1.1 289 243035 0.127% 3898436 3745072 4118847 2-3 20: 57 71 85 55 99 56 365 69 83 97 70 113 127 393 141 84 111 364 366 155 0.995 29.50 2.6 94 91 98 99 408 10.3 0.127 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1036 Nonacosane 29.82min 29.8508 2890.4 3.4 scans 67% 57 m/z 0.43% 0.114% 2259 1.3 279 231329 3710529 3581633 1-2 20: 57 71 85 55 99 83 69 56 97 70 113 127 84 111 141 98 140 58 112 86 0.990 29.83 2.7 99 99 99 99 408 17.3 0.386 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4422 2960.1 3.5 scans 64% 193 m/z (57) 0.58% 0.193% 2315 1.1 340 172081 6274931 5925160 1-2 15: 193 119 105 163 120 176 91 194 171 247 515 121 325 106 158 0.989 30.36 10.0 90 91 94 93 529 14.7 0.186 0.084 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1040 Hydrocarbon 30.5min 30.4853 2965.2 8.2 scans 83% TIC 0.19% 0.279% 2319 0.9 435 516999 0.491% 9065938 8726434 15924045 0-1 0.998 30.46 2.6 99 98 99 100 393 97.1 4.974 0.022 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1050 Hydrocarbon 31.2min 31.2345 3054.2 3.4 scans 83% 57 m/z 0.10% 0.524% 2390 0.8 594 950084 0.540% 17017717 16384862 17513206 1-2 20: 57 71 85 55 99 69 56 83 97 393 113 70 127 111 84 141 421 98 155 394 0.993 31.21 2.7 99 97 99 100 393 90.1 2.298 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1048 Hentriacontane 31.5385 3090.3 3.2 scans 78% 57 m/z 0.091% 0.568% 2419 0.9 633 1088375 18433382 17862909 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 58 126 0.986 31.53 0.8 99 98 99 99 436 37.2 0.346 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7037 3109.9 7.5 scans 18% 204 m/z (502) 1.5% 0.0307% 2435 0.9 124 64146 0.317% 998338 998338 10280900 0-0 13: 204 597 205 217 103 73 337 598 206 129 147 407 338 0.869 31.68 3.3 86 90 81 90 597 17.0 1.882 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8353 3125.6 3.2 scans 78% 502 m/z 0.098% 0.416% 2447 0.9 540 1015486 13501008 13467646 0-1 15: 502 237 503 73 236 238 504 277 221 239 223 208 74 505 193 0.991 31.79 5.2 100 99 98 100 502 267.0 24.433 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1020 Cholesterol 31.9647 3140.9 3.6 scans 63% 329 m/z 0.53% 0.300% 2459 1.1 439 185343 9760174 9375263 1-1 16: 329 129 368 353 458 95 330 121 107 328 119 105 369 145 91 93 0.981 31.87 11.5 94 94 92 96 458 65.9 2.258 0.097 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1044 Hydrocarbon 32.1min 32.1341 3161.1 3.4 scans 55% 57 m/z 0.15% 0.315% 2476 0.9 471 625077 0.386% 10238607 10007455 12518699 2-1 20: 57 71 85 56 421 55 69 83 97 99 70 422 113 420 127 111 84 141 58 155 0.991 32.11 2.9 98 97 99 99 421 108.1 5.261 0.024 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1072 UNKnp_Ntb 32.1min 3158 32.2562 3175.6 3.2 scans 12% 85 m/z 1.1% 0.0474% 2487 1.1 196 84335 1537888 1437917 1-1 8: 85 457 169 458 451 355 86 459 0.869 32.11 17.9 85 85 81 94 457 54.8 7.822 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.4392 3197.3 4.3 scans 14% 85 m/z 0.91% 0.0880% 2505 1.1 277 108910 0.626% 2855306 2855306 20302346 0-0 9: 85 457 57 169 458 86 459 451 499 0.870 32.71 -32.6 85 89 82 94 457 68.6 6.149 -0.275 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NPE1E9~1-N1045 UNKnp_Ntb isomerA 32.56min 32.6591 3223.4 3.4 scans 19% 455 m/z 0.98% 0.105% 2525 0.7 269 101494 0.189% 3429190 3261886 6129622 0-2 5: 455 99 456 355 454 0.870 32.57 10.9 80 76 56 94 457 48.7 3.279 0.091 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1004 Campesterol 32.8159 3242.0 4.0 scans 62% TIC 0.22% 0.823% 2540 0.8 719 441923 0.960% 26701408 24664286 31134588 1-2 0.783 32.21 71.9 82 94 89 98 472 103.2 2.059 0.606 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1046 Stigmasterol 33.0137 3265.5 3.6 scans 84% 83 m/z 0.10% 1.57% 2559 0.5 985 920589 51178415 47723594 1-1 19: 83 129 55 255 394 69 484 81 75 133 159 119 145 105 107 355 93 351 95 0.989 32.98 3.7 95 94 97 97 665 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1052 Hydrocarbon 33.09min 33.1179 3277.9 3.3 scans 63% 57 m/z 0.11% 0.437% 2569 0.9 553 857762 0.951% 14185053 13068063 30842701 2-0 20: 57 71 85 55 69 83 97 113 56 70 111 127 84 141 98 155 112 82 126 125 0.962 33.10 2.5 85 83 93 91 515 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3662 3307.4 3.5 scans 15% 99 m/z 2.6% 0.0357% 2593 0.7 156 37311 1160794 1122550 1-0 13: 99 529 437 189 199 438 530 287 439 457 173 200 531 0.704 33.38 -1.5 88 90 76 93 529 27.6 3.116 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN WTF2-N1034 b-Sitosterol 33.5030 3323.6 3.8 scans 78% TIC 0.20% 0.809% 2606 1.2 699 478387 1.67% 26258569 24542961 54161211 3-2 0.997 32.88 74.3 83 96 96 97 486 100.6 2.071 0.626 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.5451 3328.6 4.6 scans 36% 485 m/z (129) 0.63% 0.192% 2610 0.9 288 156591 0.496% 6228103 5839476 16086204 2-0 2: 485 450 0.978 33.75 -24.9 86 88 80 90 485 79.7 7.677 -0.209 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1054 Steroid 33.58min 3333 33.6187 3337.4 4.4 scans 49% TIC 0.84% 0.138% 2617 1.3 395 118699 1.21% 4498292 4498292 39242554 0-0 0.955 33.58 4.1 91 90 92 97 505 0.0 0.000 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9102 3372.0 3.8 scans 5.3% 441 m/z 2.3% 0.00994% 2644 1.1 76 43107 322448 322448 0-1 6: 441 442 646 308 443 647 0.681 33.80 13.6 92 94 61 93 646 16.4 4.714 0.115 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2427 3411.5 3.6 scans 48% 99 m/z 0.42% 0.153% 2676 1.0 312 237862 4968906 4791195 2-1 12: 99 499 71 361 169 500 362 100 383 451 267 230 0.975 34.22 2.8 97 96 95 98 499 79.1 6.419 0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP3.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6057 3454.6 4.0 scans 41% 596 m/z 0.37% 0.139% 2710 0.9 275 270258 4527252 4235252 1-1 17: 596 597 598 331 316 302 599 318 356 315 303 317 332 300 330 342 357 0.926 34.47 15.9 97 96 87 99 596 137.8 25.073 0.134 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN EXBLK5S-N1006 Contamination 6.3678 1048.1 2.1 scans 74% 207 m/z 0.60% 0.0219% 27 0.9 172 170376 0.0291% 986256 938035 1304918 0-1 19: 207 73 295 208 209 296 191 297 279 74 193 189 177 192 210 247 265 298 119 0.971 6.63 -15.2 98 98 94 98 295 54.9 10.208 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN OXALAC~2-N1006 Oxalic acid 2TMS STD 7.9198 1140.1 3.5 scans 51% 147 m/z (89) 4.0% 0.00562% 174 2.4 68 25338 0.144% 252015 252015 6457328 0-0 5: 147 73 148 66 149 0.974 7.79 7.5 84 83 81 92 219 7.7 1.277 0.125 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1192 Contamination 8.0828 1149.7 2.3 scans 96% 147 m/z 0.13% 0.197% 190 0.9 468 734820 0.221% 8875469 8733418 9910205 0-2 20: 147 73 133 220 235 148 59 146 72 86 74 160 89 100 103 75 149 131 134 221 0.999 7.99 5.5 97 96 97 97 235 95.6 4.182 0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1188 Contamination 8.3091 1163.1 2.3 scans 82% 281 m/z 1.4% 0.0160% 211 1.1 137 72383 719531 687186 1-1 18: 281 147 369 282 283 370 265 249 207 371 148 149 191 284 193 372 266 267 1.000 8.41 -6.3 99 98 84 99 369 40.9 8.907 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1186 Phosphate 8.5911 1179.8 2.2 scans 91% 241 m/z 0.26% 0.0499% 238 1.2 247 392083 2241039 2118366 1-1 20: 241 242 133 211 163 256 243 73 195 135 98 59 89 119 257 137 121 164 181 134 0.997 8.56 1.8 100 99 98 100 299 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1180 Benzoic acid 9.7411 1247.4 2.5 scans 27% 179 m/z 5.4% 0.00368% 347 1.2 61 18648 0.00401% 165319 158643 179819 3-1 6: 179 105 135 77 180 194 0.553 9.76 -1.1 91 92 86 96 194 8.0 1.745 -0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN VEN77_S6-N1002 Glycerol 10.1115 1269.1 6.6 scans 96% 299 m/z 0.011% 4.40% 383 0.3 1369 8539108 197350135 197234839 1-0 20: 299 73 314 133 283 207 315 211 193 191 135 74 225 75 131 59 115 134 119 189 0.987 10.09 1.1 98 96 93 98 299 722.8 28.010 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.7165 1304.6 5.6 scans 88% TIC 0.98% 0.0420% 440 1.3 192 103485 0.127% 1884959 1847755 5695005 0-1 0.989 10.73 -1.0 98 97 95 99 209 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1168 Glyceric acid 10.9890 1321.0 2.5 scans 73% 73 m/z 2.3% 0.0106% 466 1.3 112 44334 0.0162% 478909 466950 726449 2-0 18: 73 189 147 292 205 103 133 293 102 148 190 294 307 191 117 74 59 149 0.978 11.05 -3.9 89 85 82 95 292 31.4 7.911 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0606 1325.3 2.6 scans 85% TIC 1.3% 0.0240% 473 0.7 155 74688 0.0536% 1078907 1078055 2403561 0-1 0.994 11.06 -0.2 98 97 95 98 285 45.8 8.669 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4204 1347.0 3.0 scans 21% 57 m/z 0.41% 0.0539% 507 0.8 216 248083 0.0806% 2419279 2262442 3614310 2-0 20: 57 97 115 145 127 129 69 59 111 109 128 72 98 71 87 201 113 114 96 95 0.999 11.45 -1.5 92 92 88 92 145 63.3 8.619 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4835 1350.8 4.4 scans 97% TIC 0.013% 2.29% 513 0.3 1174 7407556 103026985 102380136 2-0 0.990 10.96 31.8 95 97 96 99 161 314.3 7.174 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1146 Malic acid 13.4711 1473.7 2.5 scans 93% 73 m/z 0.17% 0.133% 702 1.0 380 570281 5974573 5799299 1-1 20: 73 147 233 245 133 189 148 190 75 191 74 175 101 149 335 55 234 177 59 217 0.985 13.62 -9.1 99 98 96 98 350 7.6 0.040 -0.146 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1138 Pyroglutamic acid 13.9688 1505.3 2.8 scans 60% 156 m/z 1.2% 0.0111% 749 1.1 102 79932 500898 482580 1-1 8: 156 157 230 258 158 259 148 231 0.979 14.11 -9.4 96 95 90 96 273 0.0 0.000 -0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5717 1545.3 2.7 scans 65% 73 m/z 1.1% 0.0290% 806 1.0 165 91568 0.0306% 1302092 1249353 1372182 0-1 19: 73 292 147 220 205 293 217 103 117 294 148 221 102 74 133 149 319 206 291 0.979 14.62 -3.3 92 91 89 94 409 10.7 0.419 -0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6822 1552.6 >4 scans 76% TIC 1.4% 0.0114% 817 1.5 108 72358 0.122% 513991 505072 5470792 3-0 0.991 14.16 34.3 90 92 89 95 250 20.6 3.648 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1044 Dodecanol 14.7317 1555.9 2.7 scans 73% 243 m/z 1.1% 0.0187% 822 1.0 134 92944 842073 799391 3-1 14: 243 75 244 103 97 89 83 245 61 101 76 111 115 81 0.938 14.24 32.5 94 96 90 97 243 75.4 31.556 0.490 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.1900 1655.1 2.7 scans 52% 290 m/z (195) 1.1% 0.0144% 960 2.0 108 92368 646947 644122 0-2 7: 290 291 292 392 158 144 115 0.985 16.28 -6.0 96 97 89 98 392 16.9 2.439 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5446 1679.7 2.9 scans 84% 55 m/z 0.84% 0.0484% 994 1.2 196 121364 2174491 1731728 9-3 18: 55 69 83 56 97 70 84 111 82 127 113 68 98 96 140 112 54 125 0.998 16.63 -5.7 95 95 96 95 210 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1010 Glycerol-P 17.4842 1747.2 3.0 scans 97% 357 m/z 0.032% 1.76% 1083 0.5 1240 3109028 79065448 77486668 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 103 301 101 387 256 129 133 218 328 1.000 16.97 37.7 96 99 98 99 445 198.0 2.550 0.516 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5547 1752.4 2.5 scans 50% 217 m/z 1.6% 0.0134% 1090 1.0 119 61987 0.137% 604548 567205 6143430 0-1 11: 217 218 219 450 191 451 305 257 148 232 203 0.974 17.63 -5.6 83 82 74 84 450 17.2 2.080 -0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN TAB_REP6-N1048 Citric acid 18.2418 1802.7 2.8 scans 68% 273 m/z 1.2% 0.0322% 1155 1.0 172 83227 1445620 1418829 3-0 16: 273 363 274 375 347 465 275 148 364 211 149 348 376 221 466 257 0.972 18.24 -0.1 97 96 93 99 465 24.0 1.962 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN 24_20_~1-N1033 d27-Myristic acid 18.4354 1817.4 4.3 scans 95% TIC 0.029% 2.67% 1174 0.5 1258 3469875 4.34% 119853069 112385991 194616702 1-4 0.996 17.91 39.2 95 99 98 99 327 120.4 0.916 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1014 Phytol 18.5733 1827.9 3.1 scans 86% 68 m/z (125) 0.054% 1.32% 1187 0.5 1038 1879212 1.53% 59527739 58979053 68609114 1-0 20: 68 95 82 123 69 55 57 81 67 83 97 71 96 109 124 111 79 56 70 137 0.989 18.34 18.1 85 87 90 91 278 56.6 0.298 0.237 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1012 Phytol 18.5733 1827.9 3.1 scans 97% 68 m/z 0.054% 1.47% 1187 0.5 1105 1862887 1.70% 66288769 65677765 76232349 1-0 20: 68 95 82 123 69 55 57 81 67 83 97 71 96 109 124 111 79 56 70 137 1.000 18.04 39.8 94 98 99 99 278 66.0 0.357 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1016 Hexadecene 18.6311 1832.4 2.8 scans 89% TIC 0.23% 0.194% 1192 1.6 423 444269 4.07% 8727764 8464273 182509212 0-2 0.996 18.10 40.0 81 79 91 97 280 61.3 2.100 0.528 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN C14-N1006 C14:0 1TMS STD 18.6532 1834.0 2.7 scans 31% 285 m/z 1.3% 0.0283% 1194 1.1 164 74835 0.298% 1269650 1203980 13363082 3-2 14: 285 117 132 129 286 145 118 300 287 116 241 257 201 61 0.991 18.73 -5.7 93 93 81 94 300 16.8 1.046 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1076 Pregnane?? 18.7721 1843.1 2.8 scans 54% 345 m/z (204) 1.9% 0.0225% 1206 1.0 139 53223 0.0572% 1010743 901055 2564994 1-3 14: 345 73 147 255 346 347 334 256 435 148 108 239 257 419 0.966 18.86 -6.6 84 85 66 86 537 8.5 0.370 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1002 Phytol 18.8min 18.8584 1849.7 2.6 scans 92% 81 m/z 0.33% 0.205% 1214 0.9 458 303909 0.208% 9212754 8475877 9327252 1-8 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 97 124 109 278 53 56 110 0.993 18.84 1.4 98 97 99 98 278 53.1 1.345 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1072 Fructose 18.9468 1856.4 2.7 scans 86% TIC 0.40% 0.0799% 1222 1.2 269 251931 0.297% 3583562 3388938 13318240 0-1 0.993 19.03 -6.6 94 93 94 94 364 25.0 0.864 -0.086 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.1057 1868.5 3.0 scans 95% 81 m/z 0.17% 0.449% 1237 0.8 630 582620 20175761 20173764 0-1 20: 81 82 95 68 57 123 69 55 83 79 67 71 96 97 109 124 278 111 53 56 0.999 18.58 40.1 92 95 98 99 278 86.0 1.863 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1064 Mannose 19.2688 1881.0 2.6 scans 90% 73 m/z 0.21% 0.166% 1253 1.0 409 482233 7482614 6989267 8-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 207 189 148 161 129 157 0.996 19.45 -14.2 98 97 97 97 319 147.3 12.982 -0.186 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1068 Galactopyranose 19.3456 1886.8 2.9 scans 58% 204 m/z 1.6% 0.0201% 1260 1.3 134 61948 0.0550% 902880 859105 2466341 1-2 8: 204 191 206 192 194 189 243 231 0.960 19.32 2.3 81 79 78 85 435 0.0 0.000 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN BRA4_R~2-N1004 Galactose 19.5150 1899.8 2.9 scans 68% 73 m/z 1.0% 0.0400% 1276 1.2 195 102010 0.0616% 1796897 1663191 2762302 4-0 19: 73 319 205 147 160 320 103 217 206 321 71 133 85 89 207 74 229 148 161 0.983 19.36 11.7 92 91 79 92 364 0.0 0.000 0.154 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.5560 1903.1 3.0 scans 30% 299 m/z (73) 5.3% 0.00855% 1280 0.9 84 19000 0.0135% 383436 378440 605375 1-0 3: 299 132 300 0.854 19.97 -33.5 86 92 80 96 314 8.3 0.982 -0.417 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9243 1932.7 3.3 scans 81% TIC 0.27% 0.104% 1315 1.2 286 367376 0.121% 4682247 4427188 5425950 1-1 0.948 19.91 1.0 95 94 93 98 361 12.8 0.201 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7987 2003.1 3.2 scans 93% TIC 0.20% 0.463% 1398 0.9 620 490052 0.488% 20769612 19947589 21883168 1-6 0.999 20.27 42.9 82 82 94 98 322 42.0 0.459 0.533 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1038 C16:0 21.1701 2034.3 3.9 scans 97% 313 m/z 0.025% 2.52% 1434 0.3 1314 3947813 113422498 110739241 1-1 20: 313 117 73 132 75 129 145 314 55 328 131 133 118 201 315 57 69 269 74 285 1.000 20.62 46.0 94 99 99 100 328 152.7 1.353 0.553 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6783 2077.0 2.9 scans 73% 305 m/z 0.66% 0.0816% 1482 1.0 274 154619 0.0871% 3660448 3530457 3905787 3-2 18: 305 217 147 318 191 306 319 265 218 204 307 432 320 291 367 433 219 192 0.989 21.75 -5.9 97 96 94 97 507 18.2 0.440 -0.071 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1981 2121.5 3.8 scans 10% 396 m/z 5.6% 0.00570% 1531 1.2 63 18237 0.00671% 255900 255900 300894 0-0 5: 396 219 397 381 398 0.914 22.19 1.0 82 83 48 86 396 33.4 28.116 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2959 2130.0 3.2 scans 13% 327 m/z 2.8% 0.0109% 1541 1.4 92 35625 489716 489716 0-1 5: 327 328 342 329 283 0.740 22.33 -3.0 88 90 52 89 342 15.7 2.892 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1008 C18:3 23.2208 2211.3 >6 scans 83% TIC 0.029% 6.68% 1628 0.2 1518 3481693 10.0% 299580296 280158574 448425582 3-0 0.998 22.64 50.9 89 96 96 96 335 197.3 1.690 0.578 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2208 2211.3 11.2 scans 72% 73 m/z 0.042% 5.07% 1628 0.4 1416 2427873 9.05% 227610562 227610562 405825151 0-0 20: 73 131 350 74 164 339 119 123 187 351 199 118 137 322 293 186 249 213 226 283 0.989 23.12 9.5 90 89 95 89 350 92.0 0.422 0.104 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2650 2215.4 >2 scans 93% TIC 0.026% 2.07% 1633 2.1 1482 3799309 11.1% 93168178 83903237 497752396 0-3 0.999 23.28 -1.4 90 87 74 94 450 60.3 0.166 -0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1036 C18:0 23.4291 2230.4 3.1 scans 88% TIC 0.098% 0.572% 1648 1.1 693 1040402 0.617% 25686756 24289479 27667858 2-2 0.972 22.89 48.6 92 99 95 99 356 89.9 1.684 0.540 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1004 Prostaglandin 23.8100 2265.2 3.6 scans 95% TIC 0.029% 2.97% 1684 0.4 1430 3444428 133229364 125279218 2-2 1.000 23.76 4.8 99 98 99 99 360 127.3 0.793 0.052 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1530 2296.5 3.4 scans 32% 204 m/z 0.78% 0.0258% 1717 0.9 140 129712 0.0314% 1157116 967554 1408056 0-12 14: 204 205 217 337 147 103 206 338 218 219 361 189 203 319 0.853 24.01 13.0 90 90 70 91 490 0.0 0.000 0.143 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1012 Androsterone 24.23min 24.2509 2305.7 6.5 scans 37% 143 m/z (180) 0.53% 0.0257% 1726 1.1 156 191351 0.0593% 1155182 1155182 2659164 0-0 8: 143 144 156 145 272 115 170 219 0.936 24.23 1.9 87 88 86 93 362 9.1 0.340 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NPB0E7~1-N1041 UNKnp_Ntb Fatty acid 24.66min 24.6644 2345.0 3.2 scans 61% 73 m/z 0.72% 0.0512% 1766 1.2 229 141961 0.223% 2299992 2299992 9999890 0-0 20: 73 211 143 231 169 181 117 195 212 156 75 225 285 209 198 74 284 224 144 147 0.973 24.66 0.4 92 91 90 91 358 13.8 0.362 0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9527 2372.4 3.1 scans 73% TIC 0.39% 0.110% 1793 0.9 319 260861 0.494% 4952431 4459977 22152224 1-0 0.977 24.95 0.0 94 93 93 93 231 62.6 3.841 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1018 myo-Inositol 25.2189 2397.7 4.3 scans 63% TIC 0.41% 0.189% 1818 1.3 333 246531 0.394% 8511146 7367418 17667968 0-8 0.892 25.21 0.9 96 94 93 100 470 22.1 0.442 0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6367 2439.0 3.2 scans 46% 91 m/z 0.55% 0.0346% 1858 1.3 166 184277 0.0449% 1555018 1396938 2013431 5-4 15: 91 117 194 207 92 115 208 193 65 312 51 104 118 102 178 0.988 25.61 2.7 94 93 95 96 312 19.6 1.392 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1024 Steroid 26.19min 2494 26.2122 2496.0 3.2 scans 28% 143 m/z 0.75% 0.0341% 1913 0.9 166 135915 1532757 1403673 2-1 5: 143 177 144 272 178 0.662 26.19 1.9 88 93 67 90 347 4.4 0.000 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3122 2506.1 3.1 scans 49% 204 m/z 0.47% 0.0570% 1922 1.1 215 214737 0.299% 2560476 1987775 13407925 17-1 9: 204 217 205 219 206 218 305 101 203 0.959 25.86 45.4 85 89 91 98 361 10.6 0.246 0.456 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3974 2514.9 3.4 scans 70% 117 m/z 0.094% 0.227% 1930 0.9 463 1079089 0.528% 10195357 10169444 23676871 1-1 19: 117 130 143 231 115 319 259 245 230 229 257 102 274 292 365 393 155 215 246 0.896 26.35 4.9 85 85 88 85 495 54.8 1.399 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5679 2532.5 2.9 scans 23% 512 m/z 1.6% 0.0309% 1947 1.0 164 61482 0.0309% 1387444 1379835 1385635 2-1 18: 512 455 247 513 456 514 483 248 457 349 263 497 484 423 264 235 409 424 0.901 26.57 -0.6 93 93 77 94 512 59.6 13.143 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9424 2571.2 3.0 scans 89% 371 m/z 0.037% 0.869% 1982 0.7 898 2726725 39007826 38190810 1-1 20: 371 372 73 147 57 129 205 203 239 459 373 55 103 71 116 75 145 117 101 85 0.999 26.39 56.6 90 98 97 100 459 115.0 1.645 0.548 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN LQC1-N1010 Sucrose 27.4264 2621.9 3.0 scans 55% 361 m/z 0.27% 0.123% 2028 1.0 337 374200 5529036 5384318 1-2 12: 361 362 437 363 271 451 438 169 439 364 452 272 0.942 27.58 -16.3 99 98 91 98 437 62.6 3.439 -0.153 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1030 C18:0-1-glycerol 28.7396 2765.4 2.7 scans 92% 399 m/z 0.057% 0.561% 2153 0.8 741 1792799 25158807 24229310 1-1 20: 399 400 73 147 129 57 205 203 487 103 401 55 71 116 145 75 117 101 85 267 1.000 28.19 61.5 89 98 97 100 487 95.1 1.646 0.547 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1034 Nonacosane 29.5203 2853.2 3.0 scans 67% 57 m/z 0.32% 0.106% 2227 1.0 310 312174 4788712 4379175 2-9 20: 57 71 85 55 99 56 69 365 83 97 113 70 127 393 111 141 84 364 366 98 0.984 29.50 1.7 90 86 96 99 408 10.8 0.122 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1036 Nonacosane 29.82min 29.8444 2889.7 2.9 scans 79% 57 m/z 0.20% 0.160% 2258 1.0 390 496777 7217708 6730435 2-4 20: 57 71 85 55 99 69 83 56 97 113 70 127 84 111 141 98 155 58 112 86 0.995 29.83 2.0 95 91 98 99 408 22.9 0.347 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1038 Hexacosanol 30.1885 2930.0 3.3 scans 5.3% 439 m/z 6.5% 0.00274% 2291 1.0 46 15526 0.00408% 123076 110012 182958 0-1 2: 439 440 0.725 30.17 1.9 94 97 59 97 439 30.8 45.527 0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4347 2959.2 3.2 scans 53% 193 m/z (204) 0.69% 0.0985% 2314 1.2 281 147247 4418425 4246299 1-2 16: 193 119 105 163 120 194 176 91 171 515 325 247 106 248 158 185 0.983 30.36 9.1 82 84 87 86 529 12.3 0.192 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1040 Hydrocarbon 30.5min 30.4820 2964.8 3.1 scans 80% 57 m/z 0.14% 0.263% 2319 0.8 468 707138 0.274% 11796513 11172585 12286861 3-1 20: 57 71 85 56 393 55 69 83 99 97 70 392 113 394 127 111 141 84 58 155 0.998 30.46 2.2 99 97 99 100 393 110.0 5.531 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1050 Hydrocarbon 31.2min 31.2322 3053.9 3.3 scans 86% 57 m/z 0.077% 0.547% 2390 0.7 664 1314438 24569365 23873360 1-1 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 84 141 421 155 392 98 0.995 31.21 2.4 97 95 99 100 393 103.2 2.418 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1048 Hentriacontane 31.5468 3091.3 3.3 scans 87% 57 m/z 0.048% 0.876% 2420 0.6 838 2113817 39289466 38047445 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 126 0.999 31.53 1.8 99 98 100 99 436 50.5 0.363 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7089 3110.6 >4 scans 18% TIC 1.4% 0.00506% 2435 1.0 129 69911 0.220% 227312 227312 9865363 0-0 0.824 31.68 4.0 81 82 79 86 597 15.6 1.474 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8415 3126.3 3.0 scans 88% 502 m/z 0.040% 0.739% 2448 0.7 816 2535089 33140633 32842655 1-0 17: 502 237 503 73 236 504 238 57 277 221 71 223 208 74 239 505 193 0.997 31.79 5.9 100 99 98 100 502 393.8 23.380 0.049 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1020 Cholesterol 31.9656 3141.0 3.4 scans 78% 329 m/z (441) 0.27% 0.519% 2460 0.8 606 373751 23285081 21215483 3-1 16: 329 129 368 353 458 95 107 330 121 105 119 145 328 369 91 159 0.994 31.87 11.6 93 93 94 98 458 86.9 2.056 0.098 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1044 Hydrocarbon 32.1min 32.1371 3161.4 3.2 scans 64% 57 m/z (500) 0.088% 0.459% 2476 0.7 604 1156761 0.576% 20588034 19439389 25829314 2-1 19: 57 71 85 56 421 55 69 83 97 70 113 420 422 111 127 84 141 155 58 0.992 32.11 3.2 95 96 98 99 421 144.5 5.716 0.027 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1072 UNKnp_Ntb 32.1min 3158 32.2560 3175.5 3.0 scans 40% 85 m/z 0.26% 0.174% 2487 1.0 409 388813 7845936 7406969 1-1 13: 85 457 169 57 458 109 229 355 253 86 170 459 451 0.944 32.11 17.8 91 89 85 96 457 110.5 7.295 0.150 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5675 3212.5 3.2 scans 58% 457 m/z 0.17% 0.471% 2517 0.9 623 583340 1.00% 21147794 19111827 44842558 3-0 7: 457 99 71 169 458 109 451 0.980 32.71 -17.4 92 91 74 95 457 171.6 7.591 -0.147 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NPE1E9~1-N1045 UNKnp_Ntb isomerA 32.56min 32.6580 3223.3 3.3 scans 39% 455 m/z 0.45% 0.170% 2525 0.7 378 227229 0.385% 7654515 7103324 17264385 0-2 4: 455 99 456 355 0.927 32.57 10.8 88 89 62 93 457 62.3 0.000 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1004 Campesterol 32.8147 3241.9 3.8 scans 59% 343 m/z 0.14% 0.851% 2540 0.5 779 722660 38185361 37636732 4-0 19: 343 129 382 472 367 95 121 107 344 119 145 75 105 383 342 81 159 93 133 0.826 32.21 71.8 82 94 82 96 472 125.1 2.574 0.605 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1046 Stigmasterol 33.0273 3267.1 4.7 scans 81% TIC 0.069% 1.98% 2560 0.3 1137 1479779 6.24% 88807157 88807157 279817563 0-0 0.971 32.98 5.3 96 96 97 97 665 0.0 0.000 0.045 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1052 Hydrocarbon 33.09min 33.1283 3279.1 4.0 scans 70% 57 m/z 0.055% 0.782% 2570 0.5 772 1858057 1.61% 35086578 33151595 72196519 1-0 19: 57 71 85 55 69 83 113 97 56 70 111 127 141 84 155 98 112 125 126 0.960 33.10 3.7 88 88 93 92 515 15.4 0.040 0.031 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3703 3307.9 3.4 scans 53% 99 m/z 0.35% 0.272% 2593 0.7 449 290390 12198758 10749164 4-1 16: 99 189 361 437 199 71 529 438 362 287 173 530 271 439 200 451 0.949 33.38 -1.0 97 97 94 98 529 78.2 3.033 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN WTF2-N1034 b-Sitosterol 33.5092 3324.4 8.5 scans 72% TIC 0.14% 0.818% 2606 0.7 803 696824 3.33% 36682283 36020420 149325719 3-0 0.994 32.88 75.1 81 93 92 96 486 121.9 2.306 0.632 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7586 3354.0 3.9 scans 82% 217 m/z 0.093% 1.06% 2630 0.6 878 1091368 3.45% 47952144 47934814 154706826 0-1 20: 217 485 99 361 73 85 169 57 218 486 362 147 71 129 103 243 271 109 219 97 0.994 33.75 0.5 94 93 94 94 485 202.4 5.308 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9069 3371.6 3.4 scans 1.6% 441 m/z 4.9% 0.00286% 2644 1.1 47 20456 128305 128305 0-1 4: 441 442 308 646 0.928 33.80 13.2 81 80 48 91 646 9.1 3.795 0.112 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2552 3413.0 3.3 scans 86% 99 m/z 0.047% 1.08% 2677 0.8 926 2170865 48712977 46556376 3-1 20: 99 217 499 361 169 71 73 500 362 218 109 103 147 100 363 383 257 319 129 271 0.997 34.22 4.3 96 94 94 99 499 237.5 6.586 0.035 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.5856 3452.2 4.6 scans 29% 97 m/z 0.39% 0.126% 2709 1.1 277 256757 0.177% 5673509 5335444 7937133 4-5 6: 97 497 498 98 451 450 0.586 34.59 -0.8 82 94 39 83 596 115.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP4.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.6035 3454.3 3.8 scans 36% 596 m/z 0.28% 0.139% 2710 1.0 312 356590 6277375 6105598 1-1 19: 596 597 598 331 316 599 302 315 318 356 332 303 341 317 300 342 330 301 370 0.783 34.47 15.6 96 94 81 99 596 147.7 22.415 0.131 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN EXBLK5S-N1006 Contamination 6.3677 1048.1 2.1 scans 74% 207 m/z 0.60% 0.0235% 27 0.9 174 172144 1071139 1028549 1-1 14: 207 295 208 209 296 191 297 279 193 189 177 247 210 192 0.997 6.63 -15.2 97 96 87 97 295 54.7 9.863 -0.257 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1192 Contamination 7.9523 1142.0 2.4 scans 96% 73 m/z 0.087% 0.337% 177 0.9 591 1197534 15346926 14613863 2-1 20: 73 147 133 220 235 148 59 146 72 86 74 89 160 100 75 149 103 131 134 236 0.994 7.99 -2.2 99 98 97 99 235 121.2 4.211 -0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1188 Contamination 8.3017 1162.7 2.3 scans 51% 281 m/z 3.2% 0.00760% 211 1.1 90 32564 0.00800% 345694 322173 363811 1-2 12: 281 147 369 282 283 370 207 265 371 249 148 191 0.934 8.41 -6.7 96 95 78 97 369 27.0 9.085 -0.113 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1186 Phosphate 8.4826 1173.4 2.3 scans 95% 241 m/z 0.17% 0.0799% 228 1.2 299 587412 3635657 3572738 0-1 19: 241 242 133 211 163 256 73 243 135 195 98 59 89 137 119 212 181 134 257 0.997 8.56 -4.6 100 99 99 100 299 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LACTIC~1-N1034 Glycerol 10.0441 1265.1 2.7 scans 5.7% 205 m/z (299) 0.22% 0.137% 376 0.6 325 468857 6264181 5735677 4-1 7: 205 218 117 206 204 129 219 0.523 10.11 -3.9 81 95 56 93 293 24.9 0.587 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN VEN77_S6-N1002 Glycerol 10.0483 1265.4 6.9 scans 96% 299 m/z 0.012% 4.38% 377 0.3 1321 8550637 199502439 199502439 0-0 20: 299 73 314 133 283 207 193 211 191 135 225 59 189 181 115 208 137 72 151 195 0.988 10.09 -2.6 98 97 93 98 299 709.4 28.984 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6586 1301.1 2.9 scans 91% TIC 1.1% 0.0656% 435 1.0 223 93841 0.0810% 2984058 2399925 3683584 7-2 0.997 10.73 -4.5 88 82 70 99 209 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1168 Glyceric acid 10.9395 1318.0 2.5 scans 70% 73 m/z 2.5% 0.0104% 461 1.3 107 40112 0.0132% 475111 472887 600288 1-0 19: 73 292 189 147 205 103 293 133 102 190 307 148 294 117 191 101 149 59 74 0.980 11.05 -6.9 91 89 83 93 292 29.7 7.619 -0.114 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0048 1322.0 2.6 scans 69% 184 m/z 3.7% 0.00897% 467 1.1 94 27463 407947 388923 1-1 18: 184 134 285 174 86 100 77 185 227 286 59 172 135 175 70 110 130 186 0.997 11.06 -3.5 95 94 85 95 285 27.3 8.428 -0.058 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3730 1344.1 2.9 scans 13% 57 m/z (84) 0.39% 0.0705% 503 1.3 228 266683 0.0835% 3209367 2886477 3797274 3-0 18: 57 97 115 145 127 129 69 111 59 109 128 72 71 98 87 201 114 113 0.888 11.45 -4.4 95 99 90 98 145 70.4 9.508 -0.073 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4204 1347.0 4.3 scans 97% TIC 0.016% 1.86% 507 0.4 1060 6493110 84844069 81719659 2-2 0.996 10.96 28.0 96 97 96 98 161 281.4 7.062 0.464 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1146 Malic acid 13.4480 1472.2 2.6 scans 91% TIC 0.31% 0.0864% 700 0.9 288 334246 3933652 3702274 1-2 0.983 13.62 -10.6 98 97 95 97 350 5.6 0.038 -0.169 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5528 1544.0 4.2 scans 42% TIC 4.7% 0.0135% 805 0.7 100 22090 0.0569% 616410 613860 2587604 0-1 0.534 14.69 -9.2 84 83 52 90 409 5.1 0.265 -0.139 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5559 1544.2 2.6 scans 69% 73 m/z 1.8% 0.0167% 805 0.8 128 56033 0.0181% 763426 673972 823122 0-1 20: 73 292 147 220 205 293 217 103 294 117 148 319 102 221 74 206 149 133 143 159 0.967 14.62 -4.4 89 88 86 92 409 6.2 0.232 -0.065 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6569 1550.9 3.3 scans 84% TIC 0.81% 0.0218% 815 1.4 141 128630 0.119% 995602 910874 5411684 3-0 1.000 14.16 32.6 91 92 91 97 250 27.3 3.753 0.492 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1044 Dodecanol 14.7116 1554.6 2.7 scans 92% TIC 0.40% 0.0502% 820 0.9 222 257069 0.0899% 2285498 2248633 4088323 0-2 0.999 14.24 31.2 97 99 98 99 243 123.0 30.805 0.470 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.1763 1654.1 2.9 scans 79% 290 m/z (195 156) 0.33% 0.0648% 959 1.9 214 312588 0.0671% 2949286 2574722 3051462 1-11 17: 290 73 291 292 158 392 144 131 74 59 293 115 172 393 130 100 160 0.991 16.28 -7.0 96 99 97 99 392 30.5 2.040 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5330 1678.9 2.8 scans 93% 55 m/z 0.27% 0.137% 993 1.1 349 380999 0.152% 6260777 5670105 6912404 8-3 20: 55 69 83 73 97 56 70 57 84 111 82 113 127 98 68 71 96 140 85 54 1.000 16.63 -6.5 99 98 99 98 210 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1010 Glycerol-P 17.4705 1746.2 3.0 scans 97% 357 m/z 0.032% 1.80% 1082 0.6 1245 3207011 82032383 81548387 1-0 20: 357 299 73 358 147 315 300 445 370 211 359 103 101 301 387 133 256 129 218 328 1.000 16.97 36.7 96 99 98 99 445 199.1 2.559 0.502 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5420 1751.5 2.6 scans 51% 217 m/z 1.6% 0.0124% 1089 1.0 112 62378 0.117% 568348 568348 5320732 0-0 9: 217 218 450 219 191 305 232 451 148 0.951 17.63 -6.5 85 84 80 87 450 16.9 2.261 -0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4206 1816.3 4.3 scans 95% 73 m/z 0.029% 2.59% 1172 0.5 1238 3568980 117926114 115499816 1-1 20: 73 76 135 120 119 132 149 50 136 62 74 78 66 213 58 133 90 121 117 137 0.993 17.91 38.1 96 99 98 99 327 119.1 0.926 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1012 Phytol 18.5616 1827.0 3.4 scans 96% 68 m/z 0.057% 1.54% 1186 0.4 1076 1814724 1.80% 70295824 68337917 81857412 2-1 20: 68 95 82 123 69 57 55 81 83 67 97 71 96 109 124 111 79 56 70 85 1.000 18.04 38.9 94 98 99 99 278 64.4 0.359 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1016 Hexadecene 18.6195 1831.5 2.8 scans 89% TIC 0.21% 0.208% 1191 1.5 436 493126 4.20% 9472878 9076596 191000628 0-3 0.994 18.10 39.1 84 83 92 97 280 64.2 2.165 0.517 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN C14-N1006 C14:0 1TMS STD 18.6395 1833.0 2.7 scans 36% 285 m/z 1.3% 0.0293% 1193 1.2 165 77835 0.301% 1334454 1228375 13688378 12-1 15: 285 117 132 129 286 145 118 287 300 116 201 61 241 130 257 0.987 18.73 -6.7 93 92 82 95 300 15.9 0.925 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1002 Phytol 18.8min 18.8447 1848.6 2.8 scans 93% 81 m/z 0.37% 0.213% 1213 1.0 430 276147 0.218% 9710981 8977194 9913842 1-7 20: 81 82 95 68 57 123 55 69 67 83 79 71 96 97 124 109 53 278 110 111 0.994 18.84 0.3 99 98 99 99 278 49.3 1.317 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1072 Fructose 18.9330 1855.4 2.8 scans 77% 73 m/z 0.64% 0.0487% 1221 0.9 212 161168 2218681 1988406 9-1 20: 73 103 307 217 147 308 218 277 133 309 104 74 364 205 189 219 117 89 172 148 0.987 19.03 -7.6 93 92 92 92 364 20.5 0.936 -0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9330 1855.4 3.0 scans 80% TIC 0.60% 0.0568% 1221 0.9 217 171919 0.249% 2585086 2086710 11323609 0-2 0.985 18.40 40.4 92 96 96 99 364 20.5 0.893 0.529 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 19.0919 1867.5 2.9 scans 97% TIC 0.16% 0.484% 1236 0.7 650 640540 22014719 20570116 1-5 1.000 18.58 39.1 93 95 98 99 278 89.2 1.885 0.513 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN BRA4_R~2-N1004 Galactose 19.2550 1879.9 2.7 scans 80% 319 m/z 0.62% 0.0600% 1252 0.9 232 167964 0.0911% 2730569 2608885 4142895 4-0 17: 319 73 205 160 147 320 217 206 103 321 229 207 148 161 157 189 89 0.986 19.36 -8.2 96 94 93 98 364 14.6 0.397 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1068 Galactopyranose 19.3329 1885.9 3.0 scans 59% 204 m/z 1.6% 0.0212% 1259 1.3 135 64859 0.0714% 965921 932784 3247011 1-7 11: 204 191 205 192 206 218 189 193 243 231 235 0.903 19.32 1.4 82 80 81 86 435 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.5444 1902.1 3.0 scans 21% 299 m/z 5.5% 0.00602% 1279 1.0 71 18814 0.00941% 274048 274048 427932 0-0 3: 299 132 300 0.977 19.97 -34.5 85 90 59 91 314 7.0 0.977 -0.429 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9116 1931.6 3.3 scans 82% TIC 0.26% 0.108% 1314 1.1 290 396207 0.133% 4935681 4390815 6048353 0-2 0.948 19.91 -0.1 95 94 93 98 361 12.0 0.170 -0.000 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7860 2002.0 3.1 scans 94% TIC 0.17% 0.519% 1397 1.0 659 583533 0.529% 23626049 22591169 24056984 1-6 0.999 20.27 41.8 83 83 94 98 322 45.2 0.471 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1038 C16:0 21.1553 2033.1 3.9 scans 98% 117 m/z 0.026% 2.56% 1432 0.4 1303 3869151 116652703 115052411 1-0 20: 117 73 75 132 129 145 314 55 131 133 69 118 57 315 201 74 116 130 83 76 1.000 20.62 44.8 94 99 99 100 328 149.0 1.310 0.538 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6625 2075.7 2.9 scans 49% 305 m/z 1.4% 0.0332% 1480 1.1 169 72528 0.0377% 1513818 1411872 1714458 4-1 18: 305 217 318 147 191 306 319 265 218 204 307 432 367 320 433 192 219 291 0.929 21.75 -7.2 94 94 79 94 507 11.9 0.495 -0.087 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1843 2120.3 3.4 scans 6.5% 396 m/z 8.6% 0.00295% 1530 1.1 48 11998 134438 134438 0-0 4: 396 397 381 398 0.870 22.19 -0.2 81 83 46 86 396 26.6 30.823 -0.002 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN A-AMYRIN-N1004 C17:0 1TMS STD 22.2843 2129.0 3.3 scans 12% 327 m/z 2.5% 0.0131% 1539 1.1 100 40250 597898 571204 1-1 5: 327 328 329 342 283 0.839 22.33 -4.0 88 88 61 89 342 15.8 2.481 -0.046 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2071 2210.1 10.7 scans 77% 73 m/z 0.035% 5.05% 1627 0.6 1453 2914508 9.55% 229909823 229909823 434299048 0-0 20: 73 74 123 339 130 159 187 185 191 146 199 201 189 340 137 188 200 125 180 239 0.911 23.12 8.3 92 92 96 92 350 91.9 0.400 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1008 C18:3 23.2102 2210.4 10.2 scans 84% 335 m/z 0.029% 7.67% 1627 0.0 1524 3589856 9.43% 348825226 324867454 428841887 3-0 13: 335 117 74 339 130 159 118 146 199 340 165 112 354 0.995 22.64 50.0 89 96 96 96 335 200.5 1.732 0.567 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2471 2213.7 3.5 scans 68% 169 m/z (79) 0.036% 2.03% 1631 0.7 1187 2827526 3.59% 92335232 90163673 163260061 0-1 19: 169 231 143 211 156 170 183 181 147 157 195 232 269 141 182 197 360 209 270 0.958 23.28 -3.1 87 87 71 92 450 56.4 0.226 -0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1036 C18:0 23.4165 2229.2 2.9 scans 88% 341 m/z 0.096% 0.542% 1647 0.8 693 1081530 24649105 23419009 1-4 20: 341 117 73 75 132 129 145 342 55 356 57 133 131 118 69 343 201 74 297 116 0.999 22.89 47.4 93 98 98 99 356 90.5 1.706 0.527 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1004 Prostaglandin 23.7921 2263.5 3.5 scans 94% TIC 0.028% 2.79% 1683 0.5 1420 3634670 127073543 120124188 4-2 0.993 23.76 3.1 99 98 98 99 360 123.8 0.761 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1404 2295.4 3.2 scans 36% 204 m/z (333) 0.69% 0.0373% 1716 0.9 157 149364 0.0456% 1699526 1379977 2073721 1-12 15: 204 205 217 337 147 103 206 218 338 219 361 191 339 203 220 0.965 24.01 11.9 90 92 86 93 490 0.0 0.000 0.130 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1024 Glycerolgalactose 24.1404 2295.4 3.2 scans 40% 204 m/z (117) 0.70% 0.0413% 1716 0.9 165 148809 0.0505% 1880076 1526580 2296555 1-12 15: 204 205 217 337 147 103 206 218 338 219 361 191 339 203 220 0.928 24.18 -3.7 90 92 89 92 581 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1012 Androsterone 24.23min 24.2782 2308.3 >4 scans 41% TIC 0.72% 0.00945% 1729 1.4 134 144215 0.0848% 430090 430090 3856394 0-0 0.935 24.23 4.5 86 88 81 87 362 7.7 0.332 0.047 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NPB0E7~1-N1041 UNKnp_Ntb Fatty acid 24.66min 24.6507 2343.7 >3 scans 59% TIC 0.85% 0.0317% 1764 1.1 205 121961 0.234% 1441733 1441733 10641464 0-0 0.968 24.66 -0.9 90 90 88 90 358 11.7 0.327 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9400 2371.2 3.1 scans 71% TIC 0.49% 0.0899% 1792 0.8 283 212076 0.434% 4090699 3941082 19736732 1-0 0.970 24.95 -1.2 92 92 91 92 231 54.0 3.633 -0.013 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1018 myo-Inositol 25.2073 2396.6 5.9 scans 57% TIC 0.47% 0.153% 1817 1.4 289 218062 0.352% 6991393 6455698 16007672 0-8 0.857 25.21 -0.2 96 95 92 99 470 18.5 0.410 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6240 2437.7 3.2 scans 46% 91 m/z 0.54% 0.0361% 1857 1.2 166 190028 0.0454% 1642832 1414657 2064626 6-4 16: 91 117 194 207 92 208 115 312 65 193 104 51 118 102 128 178 0.978 25.61 1.4 93 92 95 97 312 20.8 1.568 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1024 Steroid 26.19min 2494 26.1995 2494.7 3.3 scans 24% 143 m/z 0.88% 0.0268% 1911 0.9 142 117748 1219981 1140710 2-1 6: 143 192 177 144 272 178 0.604 26.19 0.6 85 90 59 88 347 4.4 0.000 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.2995 2504.8 3.0 scans 51% 204 m/z 0.46% 0.0450% 1921 1.2 217 223576 0.0548% 2050136 2032607 2492103 2-0 11: 204 217 205 147 219 206 218 305 101 307 203 0.960 25.86 44.1 85 88 91 99 361 11.0 0.257 0.443 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5583 2531.5 5.1 scans 53% TIC 0.37% 0.121% 1946 1.9 308 277729 0.288% 5524424 5524424 13097186 0-0 0.825 26.57 -1.6 98 97 88 99 512 95.2 9.564 -0.015 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1028 C16:0-glycerol 26.9287 2569.8 2.6 scans 88% 371 m/z 0.048% 0.624% 1981 0.7 790 2145106 28409455 27852329 1-0 19: 371 372 147 129 57 205 203 239 459 373 55 71 103 116 75 145 101 117 85 0.999 26.39 55.2 90 97 97 100 459 99.7 1.596 0.535 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1008 Sucrose 27.4138 2620.6 2.9 scans 41% 361 m/z (397) 0.53% 0.0681% 2027 1.0 241 196026 3099315 2810776 1-4 11: 361 362 437 363 271 451 438 439 364 452 272 0.955 27.59 -18.9 96 98 92 97 437 45.7 3.588 -0.177 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1014 Sucrose 27.4138 2620.6 2.9 scans 39% 361 m/z 0.53% 0.0602% 2027 1.0 236 195792 2738798 2483823 1-4 11: 361 362 437 363 271 451 438 439 364 452 272 0.962 27.49 -8.1 98 97 90 97 437 45.7 3.752 -0.076 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN LQC1-N1010 Sucrose 27.4190 2621.1 4.7 scans 35% TIC 0.63% 0.0417% 2027 1.6 221 163544 0.203% 1898026 1760072 9231697 1-0 0.695 27.58 -17.1 94 97 80 98 437 41.5 3.532 -0.160 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1030 C18:0-1-glycerol 28.7227 2763.5 2.8 scans 88% 399 m/z 0.095% 0.368% 2151 0.9 579 1096010 16760349 16741439 1-0 20: 399 400 73 147 129 57 205 203 103 401 55 487 71 116 145 117 101 75 85 267 0.997 28.19 59.6 89 98 98 100 487 73.4 1.609 0.530 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN SQUALENE-N1017 Squalene STD 29.0868 2804.5 6.8 scans 39% TIC 1.1% 0.0162% 2186 1.3 154 93225 0.120% 738683 728621 5457161 1-0 0.951 29.09 -0.6 82 83 90 84 410 6.9 0.199 -0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1034 Nonacosane 29.5076 2851.8 2.9 scans 68% 57 m/z 0.30% 0.106% 2226 1.0 320 339587 4847703 4641584 2-1 20: 57 71 85 55 99 56 365 69 83 97 70 113 127 111 84 141 393 366 155 58 0.989 29.50 0.3 92 88 97 99 408 11.3 0.124 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1036 Nonacosane 29.82min 29.8317 2888.3 3.1 scans 70% 57 m/z 0.23% 0.163% 2257 0.9 363 448727 7430841 6261759 7-8 20: 57 71 85 55 99 69 83 56 113 97 70 84 127 111 141 98 155 112 58 72 0.992 29.83 0.6 95 92 98 100 408 22.7 0.391 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1038 Hexacosanol 30.1779 2928.7 2.9 scans 3.9% 439 m/z 6.8% 0.00199% 2290 0.9 41 15148 0.00332% 90669 90669 150981 0-0 3: 439 440 441 0.753 30.17 0.6 92 96 47 97 439 29.9 54.068 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1040 Hydrocarbon 30.5min 30.4683 2963.2 3.1 scans 78% 57 m/z 0.13% 0.265% 2317 0.9 473 751591 0.275% 12058121 11418078 12505994 3-1 20: 57 71 85 56 393 55 69 99 83 97 70 392 113 394 127 111 141 84 58 155 0.997 30.46 0.6 99 97 99 100 393 111.0 5.497 0.005 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1050 Hydrocarbon 31.2min 31.2206 3052.6 3.4 scans 84% 57 m/z 0.085% 0.508% 2389 0.8 626 1221235 0.543% 23133761 22316504 24693653 1-2 20: 57 71 85 55 99 69 56 83 393 97 113 70 127 111 141 84 155 421 98 394 0.994 31.21 1.1 98 96 99 100 393 97.5 2.424 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1048 Hentriacontane 31.5342 3089.8 3.4 scans 86% 57 m/z (345) 0.054% 0.853% 2419 0.6 786 1917336 38824628 38002974 1-2 20: 57 71 85 55 99 69 83 97 113 56 70 127 84 111 141 98 155 112 126 72 0.999 31.53 0.3 97 98 100 99 436 46.0 0.342 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6920 3108.6 3.2 scans 13% 204 m/z 1.6% 0.00564% 2434 0.7 117 62945 0.0564% 256570 255886 2564866 0-1 15: 204 205 217 597 73 337 103 598 129 361 191 437 206 599 338 0.821 31.68 2.0 82 83 78 87 597 14.9 1.629 0.017 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8298 3124.9 3.1 scans 84% 502 m/z 0.042% 0.741% 2447 0.6 776 2447043 33740841 33354984 1-0 15: 502 237 503 73 236 504 238 277 221 223 208 239 74 505 193 0.991 31.79 4.5 99 98 96 100 502 379.5 23.967 0.038 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1020 Cholesterol 31.9529 3139.5 4.0 scans 65% TIC 0.33% 0.251% 2458 1.0 526 308279 1.07% 11450168 11450168 48659684 0-0 0.984 31.87 10.1 95 94 94 97 458 79.4 2.282 0.085 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1044 Hydrocarbon 32.1min 32.1255 3160.0 3.9 scans 68% TIC 0.092% 0.446% 2475 0.7 603 1133291 0.866% 20293768 19462914 39382511 0-1 0.988 32.11 1.8 97 95 98 99 421 137.1 5.168 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1072 UNKnp_Ntb 32.1min 3158 32.2433 3174.0 >6 scans 46% TIC 0.23% 0.169% 2486 0.8 444 437506 0.529% 7689163 7689163 24056984 0-0 0.954 32.11 16.3 90 87 84 96 457 110.5 6.196 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5559 3211.1 4.2 scans 51% TIC 0.20% 0.292% 2516 0.5 563 520535 1.43% 13319972 13299674 65031166 0-1 0.929 32.71 -18.8 92 91 60 95 457 160.2 8.086 -0.158 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NPE1E9~1-N1045 UNKnp_Ntb isomerA 32.56min 32.6463 3221.9 3.1 scans 27% 455 m/z 0.56% 0.135% 2524 1.1 313 185327 0.266% 6147082 5409667 12096706 2-6 3: 455 456 355 0.883 32.57 9.4 82 84 50 88 457 49.2 0.000 0.078 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1004 Campesterol 32.8010 3240.3 3.9 scans 54% 343 m/z 0.15% 0.788% 2539 0.5 727 654133 35872627 32260389 4-1 19: 343 129 382 367 472 95 121 107 344 75 383 119 145 342 105 81 93 159 91 0.904 32.21 70.2 82 94 81 96 472 118.1 2.640 0.591 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1046 Stigmasterol 33.0114 3265.3 3.9 scans 80% 83 m/z (457) 0.072% 1.97% 2559 0.4 1123 1431385 2.35% 89814387 87972523 106869399 1-1 19: 83 129 255 55 394 484 69 81 133 75 159 119 105 145 107 93 351 355 95 1.000 32.98 3.5 95 96 98 99 665 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1052 Hydrocarbon 33.09min 33.1146 3277.5 3.8 scans 67% 57 m/z 0.059% 0.704% 2569 0.5 735 1752269 1.50% 32048356 32048356 68214510 0-0 19: 57 71 85 55 69 83 113 56 97 70 127 111 141 84 155 112 98 125 82 0.945 33.10 2.1 85 84 92 92 515 14.4 0.039 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3576 3306.4 3.5 scans 51% 99 m/z 0.35% 0.263% 2592 0.7 438 290460 11986905 11492249 3-1 16: 99 189 361 437 199 71 529 438 173 530 362 287 439 271 200 190 0.942 33.38 -2.5 97 97 93 98 529 74.7 2.907 -0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN WTF2-N1034 b-Sitosterol 33.4944 3322.6 >4 scans 67% TIC 0.17% 0.652% 2605 1.0 718 592183 2.55% 29692905 27964699 115964667 1-0 0.996 32.88 73.3 81 93 92 96 486 111.2 2.399 0.617 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.7427 3352.1 4.1 scans 79% 217 m/z 0.10% 0.964% 2629 0.7 815 953890 3.25% 43841750 43841750 147798105 0-0 20: 217 485 73 99 85 361 169 57 486 362 103 71 243 219 109 271 369 363 97 230 0.995 33.75 -1.4 93 92 94 94 485 186.0 5.203 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.8953 3370.2 3.6 scans 2.9% 441 m/z 2.4% 0.00629% 2643 1.0 65 42647 286407 257489 4-2 6: 441 442 308 646 443 647 0.919 33.80 11.8 86 86 53 91 646 14.3 4.754 0.100 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2404 3411.2 3.8 scans 81% 99 m/z 0.055% 0.972% 2676 0.8 839 1876133 44203161 43498297 3-0 20: 99 217 499 361 169 71 73 500 218 362 109 103 147 100 363 383 129 319 257 271 0.996 34.22 2.5 96 93 94 99 499 213.1 6.458 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN N479_R~1-N1034 UNKnp_Disaccharide/Steroid bound compound 34.6min 34.5834 3452.0 >20 scans 42% TIC 0.32% 0.102% 2708 0.8 340 319991 0.277% 4674846 4366294 12596946 1-0 0.914 34.59 -1.0 90 89 62 91 596 137.2 16.276 -0.009 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP5.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5897 3452.7 3.9 scans 31% 596 m/z 0.28% 0.130% 2709 0.8 291 363314 5920669 5616098 1-2 14: 596 597 598 316 599 302 318 315 356 300 342 600 330 304 0.774 34.47 14.0 96 95 87 99 596 146.2 25.262 0.118 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN EXBLK5S-N1006 Contamination 6.3657 1047.9 2.3 scans 77% 207 m/z 0.57% 0.0309% 27 1.4 180 181327 0.0345% 1327094 1244560 1477319 0-11 16: 207 73 295 208 209 296 191 297 279 71 193 189 177 210 192 247 0.995 6.63 -15.4 97 96 88 97 295 56.7 9.973 -0.259 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1192 Contamination 7.9629 1142.6 2.4 scans 95% 147 m/z (165) 0.091% 0.354% 178 0.9 580 1128560 15191677 14295024 3-1 20: 147 73 133 235 220 148 59 146 72 86 74 160 89 75 149 100 103 131 134 236 0.995 7.99 -1.6 97 98 97 99 235 120.2 4.299 -0.026 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1188 Contamination 8.3059 1162.9 2.8 scans 63% TIC 2.5% 0.0122% 211 1.2 106 40868 0.0465% 525568 468210 1991169 1-0 0.800 8.41 -6.5 95 94 72 97 369 30.5 8.300 -0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1186 Phosphate 8.4943 1174.1 2.3 scans 91% 241 m/z 0.36% 0.0396% 229 1.2 205 280830 1697254 1684252 0-1 19: 241 242 133 211 163 243 256 135 195 98 59 89 137 119 121 134 181 257 212 0.995 8.56 -3.9 100 99 97 99 299 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1180 Benzoic acid 9.6696 1243.2 2.5 scans 29% 179 m/z 4.8% 0.00481% 341 1.2 64 21282 206219 185293 1-3 7: 179 105 135 180 51 194 136 0.601 9.76 -5.3 91 91 83 96 194 8.5 1.763 -0.089 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN VEN77_S6-N1002 Glycerol 10.0368 1264.7 6.9 scans 95% 299 m/z 0.012% 4.52% 375 0.2 1292 8388096 193724654 191550156 1-0 18: 299 301 315 316 302 195 285 212 317 210 182 138 122 152 92 241 112 186 0.982 10.09 -3.3 99 97 94 98 299 706.0 30.051 -0.057 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1034 UNKnp_Cyclohexane acetic acid 10.6671 1301.6 2.7 scans 47% 199 m/z (69) 1.0% 0.0417% 435 1.1 176 97156 1787958 1463913 13-1 20: 199 75 117 73 145 132 129 200 131 67 81 118 74 201 79 72 76 53 61 155 0.938 10.73 -4.0 90 92 85 96 209 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1168 Glyceric acid 10.9480 1318.5 2.6 scans 64% 73 m/z 4.0% 0.00706% 462 1.2 89 25471 0.0100% 302649 302649 428208 0-0 16: 73 189 147 292 57 103 56 133 205 148 215 293 102 190 117 74 0.990 11.05 -6.4 84 80 71 91 292 23.1 6.691 -0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0122 1322.4 2.5 scans 62% 184 m/z 4.2% 0.00820% 468 1.0 90 24173 351235 351235 0-1 14: 184 134 285 174 86 100 227 286 185 59 172 135 186 110 0.946 11.06 -3.1 93 93 81 95 285 26.8 8.882 -0.051 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.3805 1344.6 2.7 scans 21% 57 m/z 0.33% 0.0689% 503 1.1 241 308892 0.0827% 2951409 2652817 3541283 3-0 18: 57 97 115 145 127 129 69 111 59 109 128 72 71 201 87 98 114 113 0.997 11.45 -3.9 94 94 89 95 145 71.8 8.901 -0.066 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4299 1347.6 3.8 scans 96% 84 m/z 0.015% 1.88% 508 0.4 1094 6832721 80626508 79707149 1-1 20: 84 133 162 161 119 92 85 118 82 65 51 130 78 134 117 63 55 91 120 77 0.995 10.96 28.6 96 97 96 98 161 292.3 7.151 0.474 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN TAB_REP6-N1026 Malic acid 13.4533 1472.6 2.6 scans 90% TIC 0.42% 0.0711% 700 1.0 255 245381 0.0889% 3044575 2717209 3806772 2-2 0.999 13.53 -5.0 96 94 92 96 335 29.2 1.305 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.6644 1551.4 >3 scans 80% TIC 0.96% 0.0154% 815 1.3 128 108047 0.153% 661423 599680 6551588 2-0 0.998 14.16 33.1 89 90 91 97 250 24.6 3.671 0.499 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1044 Dodecanol 14.7180 1555.0 2.7 scans 90% TIC 0.40% 0.0598% 820 0.9 228 258087 0.140% 2562091 2561071 5994917 0-1 0.999 14.24 31.6 97 98 98 99 243 123.8 29.496 0.476 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.1795 1654.3 2.7 scans 84% 290 m/z (156) 0.32% 0.0632% 959 2.1 217 324068 2709652 2705924 0-1 14: 290 291 292 392 158 144 131 393 115 293 200 100 172 160 0.973 16.28 -6.8 97 98 95 99 392 31.3 2.085 -0.096 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1002 UNKnp_Ntb 16.6min C12-ester 16.5394 1679.3 2.8 scans 92% 55 m/z 0.30% 0.144% 993 1.2 331 342241 0.157% 6189069 5385554 6722871 9-3 20: 55 69 73 83 56 70 97 57 84 111 82 98 127 113 68 71 140 96 67 54 1.000 16.63 -6.1 99 98 98 98 210 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1010 Glycerol-P 17.4769 1746.7 3.0 scans 98% 357 m/z 0.034% 1.81% 1083 0.5 1195 3013060 77572408 75820393 1-1 20: 357 299 73 358 315 147 300 445 370 211 359 301 387 101 103 256 133 129 218 328 1.000 16.97 37.2 96 99 98 99 445 193.6 2.630 0.509 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN TAB_REP6-N1048 Citric acid 18.2334 1802.0 2.9 scans 44% 273 m/z (217) 4.5% 0.00867% 1154 1.1 85 22564 0.00908% 371264 352605 388813 0-1 13: 273 363 347 274 375 211 465 156 275 364 231 348 221 0.970 18.24 -0.8 84 86 81 88 465 11.9 1.963 -0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN 24_20_~1-N1033 d27-Myristic acid 18.4260 1816.7 4.2 scans 95% TIC 0.029% 2.80% 1173 0.6 1254 3547569 4.43% 119947755 114805105 189696298 1-4 0.983 17.91 38.5 96 99 98 99 327 119.8 0.913 0.518 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1012 Phytol 18.5638 1827.2 3.1 scans 97% 68 m/z 0.059% 1.44% 1186 0.5 1057 1748304 1.71% 62073833 60832530 73223628 5-0 20: 68 95 82 69 123 57 55 81 67 83 97 71 96 109 124 111 79 56 70 85 1.000 18.04 39.1 94 98 99 99 278 63.0 0.355 0.520 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1016 Hexadecene 18.6238 1831.8 3.0 scans 88% TIC 0.24% 0.209% 1192 1.5 405 415726 4.11% 8991909 8398901 175993631 0-3 0.995 18.10 39.4 83 83 92 97 280 60.9 2.258 0.521 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN C14-N1006 C14:0 1TMS STD 18.6469 1833.6 2.7 scans 55% 285 m/z 1.2% 0.0333% 1194 1.0 172 86155 1429462 1374338 1-2 16: 285 117 132 129 286 145 131 118 201 116 300 287 241 61 130 257 0.995 18.73 -6.1 94 93 82 95 300 17.0 0.980 -0.080 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1050 Ntb_Isoprenoid 18.6min 18.8511 1849.1 2.7 scans 92% 81 m/z (221) 0.34% 0.217% 1213 1.0 440 296533 9313312 8988794 1-4 20: 81 82 95 68 57 123 69 55 67 83 79 71 96 97 124 109 278 53 111 110 0.997 18.58 20.7 94 94 97 99 278 51.3 1.358 0.272 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9363 1855.6 3.7 scans 67% TIC 1.3% 0.0182% 1221 0.9 144 77462 0.192% 782302 782302 8221600 0-0 0.990 18.40 40.6 92 97 95 98 364 13.7 0.907 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1018 Fructose 18.9373 1855.7 2.9 scans 63% 73 m/z 1.4% 0.0222% 1221 0.8 139 71652 0.0318% 952631 952631 1361703 0-0 20: 73 103 307 217 147 308 218 277 309 133 104 364 205 89 189 117 74 219 172 148 0.993 18.52 31.4 91 93 94 94 364 13.7 0.972 0.412 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1002 Phytol 18.8min 19.0994 1868.1 2.9 scans 96% 81 m/z 0.17% 0.464% 1237 0.7 626 594197 19910546 19651209 1-1 20: 81 82 68 95 123 57 69 55 83 79 67 71 97 96 109 124 278 111 53 56 1.000 18.84 19.8 93 92 98 93 278 86.6 1.915 0.259 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN TAB_REP6-N1054 Galactose 19.2593 1880.3 2.9 scans 68% TIC 1.1% 0.0245% 1252 1.2 168 91252 0.402% 1053063 1053063 17213976 0-0 0.973 19.22 3.3 93 92 88 93 376 0.0 0.000 0.043 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN BRA4_R~2-N1004 Galactose 19.2593 1880.3 2.7 scans 68% 319 m/z 1.1% 0.0306% 1252 1.1 169 88792 0.0457% 1313678 1228414 1956912 4-1 15: 319 205 160 147 320 217 321 103 206 207 229 161 189 89 157 0.987 19.36 -7.8 95 94 91 96 364 10.6 0.397 -0.102 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1068 Galactopyranose 19.3361 1886.1 2.9 scans 56% 204 m/z 1.7% 0.0182% 1259 1.2 124 60129 0.0453% 781085 737888 1939784 1-9 12: 204 191 205 206 192 193 189 243 231 235 291 305 0.924 19.32 1.6 83 82 85 87 435 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN A-AMYRIN-N1008 C15:0 1TMS STD 19.5476 1902.4 2.9 scans 13% 299 m/z 7.3% 0.00456% 1280 1.0 61 14166 195532 195532 0-0 2: 299 300 0.979 19.97 -34.2 84 89 59 90 314 4.7 0.591 -0.425 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9148 1931.9 3.0 scans 85% TIC 0.25% 0.106% 1314 1.2 294 400368 0.153% 4562148 4336794 6551588 0-1 0.980 19.91 0.2 96 94 94 99 361 13.9 0.223 0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1052 Ntb_Fatty acid 20.3min 20.7924 2002.6 3.1 scans 94% TIC 0.20% 0.480% 1398 0.7 612 494926 0.517% 20582051 19646221 22138372 0-6 1.000 20.27 42.4 82 82 94 97 322 42.9 0.492 0.526 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1038 C16:0 21.1617 2033.6 3.3 scans 95% 117 m/z 0.024% 2.61% 1433 0.4 1364 4290795 112178331 103216076 1-1 20: 117 313 73 75 132 129 145 314 55 131 328 133 57 118 201 69 74 269 116 315 1.000 20.62 45.3 94 99 99 100 328 157.3 1.331 0.545 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6667 2076.0 2.9 scans 49% 305 m/z 1.9% 0.0238% 1481 0.9 142 52407 1021944 985890 4-1 17: 305 217 318 191 306 319 265 218 432 307 433 320 367 192 291 393 507 0.987 21.75 -6.9 92 92 77 92 507 11.3 0.628 -0.082 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN A-AMYRIN-N1004 C17:0 1TMS STD 21.9656 2101.2 2.8 scans 18% 327 m/z (73) 1.6% 0.0220% 1509 1.1 135 64494 942430 898218 1-1 10: 327 132 328 342 329 201 283 299 343 89 0.853 22.33 -31.8 87 94 63 93 342 22.0 2.665 -0.364 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1008 C18:3 23.1966 2209.1 >5 scans 39% 169 m/z 0.059% 2.16% 1626 0.7 1043 1747784 4.88% 92811435 91974726 208965674 1-0 20: 169 143 231 211 156 170 141 181 209 232 197 251 233 195 212 196 277 360 345 198 0.995 22.64 48.7 85 92 90 92 335 142.4 1.866 0.554 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.2261 2211.8 9.0 scans 56% 171 m/z (79) 0.031% 2.34% 1629 3.8 1160 3300435 5.41% 100236112 93863959 231660717 0-4 14: 171 264 277 213 279 188 200 259 219 281 306 166 355 240 0.934 23.28 -5.0 87 87 68 93 450 52.8 0.208 -0.055 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1010 a-Linolenic acid 23.2261 2211.8 9.0 scans 72% 171 m/z (169) 0.055% 3.01% 1629 3.8 1317 1873822 6.98% 129171400 120959790 298889427 0-4 14: 171 264 277 213 279 188 200 259 219 281 306 166 355 240 0.963 23.12 10.0 93 96 94 95 350 99.7 0.573 0.109 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1036 C18:0 23.4208 2229.6 3.0 scans 89% 341 m/z 0.089% 0.645% 1647 0.8 714 1153945 27649422 26462071 1-3 20: 341 117 73 132 75 129 145 342 55 356 57 133 131 118 343 69 201 74 297 116 0.994 22.89 47.8 93 98 97 99 356 94.5 1.755 0.532 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1012 UNKnp_Glucose dinonyl mercaptal 23.7385 2258.6 2.7 scans 14% 163 m/z (95) 0.34% 0.0362% 1678 1.1 172 297390 0.0523% 1552254 1486916 2239530 2-0 10: 163 331 164 165 88 89 90 178 332 313 0.980 23.72 1.7 82 84 57 84 331 51.0 8.787 0.019 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1004 Prostaglandin 23.7922 2263.5 3.1 scans 94% TIC 0.032% 2.39% 1683 0.5 1322 3174560 102519603 95804836 4-3 0.993 23.76 3.1 99 98 98 99 360 115.0 0.758 0.034 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1468 2296.0 3.4 scans 33% 204 m/z 0.76% 0.0256% 1716 0.8 140 134952 0.0339% 1099597 1013258 1451626 0-2 14: 204 217 205 337 147 103 206 338 219 218 361 339 203 243 0.859 24.01 12.5 90 90 70 91 490 0.0 0.000 0.137 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1012 Androsterone 24.23min 24.2415 2304.8 6.7 scans 37% 143 m/z (204) 0.52% 0.0334% 1725 1.4 153 198653 0.0583% 1433722 1426778 2496455 1-0 6: 143 144 156 272 219 155 0.937 24.23 1.0 89 91 86 93 362 11.3 0.544 0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NPB0E7~1-N1041 UNKnp_Ntb Fatty acid 24.66min 24.6560 2344.2 >4 scans 46% TIC 1.3% 0.0194% 1765 1.4 157 75453 0.151% 832852 755954 6465946 1-0 0.936 24.66 -0.4 82 82 78 82 358 10.4 0.437 -0.004 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NPB0E7~1-N1043 UNKnp_Ntb 24.95min 2372 24.9433 2371.5 3.2 scans 56% TIC 0.92% 0.0447% 1792 1.1 210 112537 0.452% 1916594 1515177 19355017 3-0 0.962 24.95 -0.9 86 86 87 86 231 41.8 3.967 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1018 myo-Inositol 25.2105 2396.9 4.2 scans 59% TIC 0.58% 0.134% 1818 1.2 280 176923 0.291% 5748801 4672475 12460863 0-6 0.900 25.21 0.1 96 96 93 99 470 19.6 0.487 0.001 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1020 UNKnp_Benzene structure 25.6min 25.6304 2438.4 3.4 scans 44% 91 m/z 0.61% 0.0341% 1857 1.3 156 169136 0.0449% 1463590 1315318 1922655 6-3 15: 91 117 194 207 92 115 193 208 65 312 104 51 118 178 102 0.972 25.61 2.1 94 93 94 96 312 19.0 1.477 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1024 Steroid 26.19min 2494 26.2038 2495.1 3.1 scans 36% 143 m/z (292) 1.0% 0.0376% 1912 1.0 165 95002 1611778 1465428 3-1 6: 143 192 177 144 272 178 0.933 26.19 1.0 84 86 89 93 347 7.5 0.206 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.3059 2505.5 3.3 scans 52% TIC 0.45% 0.0342% 1922 1.1 220 225690 0.144% 1468180 1400532 6166200 0-1 0.962 25.86 44.8 85 88 91 99 361 11.1 0.252 0.450 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5626 2532.0 5.3 scans 53% TIC 0.36% 0.147% 1946 2.1 316 282840 0.350% 6313521 5777763 14987292 0-3 0.828 26.57 -1.1 98 98 89 99 512 99.6 9.912 -0.010 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1028 C16:0-glycerol 26.9361 2570.6 2.9 scans 89% 371 m/z 0.039% 0.858% 1982 0.6 859 2615356 36758038 36153732 1-1 20: 371 372 73 147 129 205 57 203 239 459 373 55 103 71 116 145 101 313 75 117 0.999 26.39 56.0 90 97 97 99 459 110.3 1.654 0.542 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1014 Sucrose 27.4181 2621.0 3.0 scans 36% 361 m/z (397) 0.71% 0.0600% 2027 1.0 211 145757 0.0634% 2572522 2308749 2714841 1-16 11: 361 362 437 363 271 451 438 439 452 364 272 0.939 27.49 -7.7 95 96 89 98 437 39.3 3.460 -0.072 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN LQC1-N1010 Sucrose 27.4181 2621.0 3.0 scans 29% 361 m/z 0.71% 0.0457% 2027 1.0 191 145761 0.0483% 1959627 1758697 2068246 1-16 11: 361 362 437 363 271 451 438 439 452 364 272 0.803 27.58 -17.2 96 95 73 97 437 39.3 4.240 -0.161 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1030 C18:0-1-glycerol 28.7301 2764.4 2.9 scans 91% 399 m/z 0.064% 0.543% 2152 0.8 695 1606126 23289952 22884286 0-1 20: 399 400 73 147 129 57 205 203 103 55 401 487 71 116 75 145 101 117 133 267 1.000 28.19 60.5 89 97 97 100 487 87.2 1.576 0.537 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN SQUALENE-N1017 Squalene STD 29.0889 2804.7 6.6 scans 40% TIC 0.98% 0.0132% 2186 1.3 155 105027 0.0413% 567661 567661 1768500 0-0 0.961 29.09 -0.4 83 84 92 84 410 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1034 Nonacosane 29.5119 2852.3 3.0 scans 56% 57 m/z 0.49% 0.0755% 2226 1.0 252 209587 3233419 2807620 4-10 19: 57 71 85 55 99 365 56 69 83 97 113 70 127 84 366 364 393 141 98 0.979 29.50 0.8 91 87 97 98 408 9.0 0.126 0.007 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1036 Nonacosane 29.82min 29.8381 2889.0 3.0 scans 70% 57 m/z 0.28% 0.122% 2257 0.9 326 359464 5257662 4851945 2-4 20: 57 71 85 55 99 69 83 56 113 97 70 127 84 111 98 141 112 155 86 72 0.991 29.83 1.3 96 94 99 100 408 19.8 0.370 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1038 Hexacosanol 30.1811 2929.1 2.8 scans 5.0% 439 m/z 5.6% 0.00273% 2290 0.9 49 18456 0.00438% 117074 104316 187555 0-1 3: 439 440 441 0.610 30.17 1.0 95 98 56 97 439 33.1 46.296 0.008 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1018 UNKnp_30.4min 2950 30.4284 2958.5 3.2 scans 47% 193 m/z 0.63% 0.100% 2313 1.1 280 164226 4288109 4086644 1-2 13: 193 119 105 163 120 91 194 176 171 515 325 247 106 0.963 30.36 8.4 86 87 87 88 529 12.9 0.213 0.070 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1040 Hydrocarbon 30.5min 30.4736 2963.9 3.0 scans 73% 57 m/z 0.16% 0.220% 2318 0.8 430 615282 0.225% 9438444 8592746 9634688 5-1 20: 57 71 85 56 393 55 83 69 99 97 70 392 394 113 127 111 141 84 58 365 0.997 30.46 1.3 99 97 99 99 393 103.4 5.794 0.011 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1050 Hydrocarbon 31.2min 31.2228 3052.8 3.2 scans 78% 57 m/z 0.096% 0.425% 2389 0.7 593 1076459 0.458% 18199990 17071032 19611942 1-3 20: 57 71 85 55 99 56 69 83 393 97 113 70 127 111 141 84 421 155 394 98 0.994 31.21 1.3 97 95 98 100 393 92.5 2.435 0.012 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1048 Hentriacontane 31.5374 3090.2 3.1 scans 85% 57 m/z 0.057% 0.723% 2419 0.6 761 1812441 30993801 30003699 1-1 20: 57 71 85 55 99 69 83 97 113 56 70 127 111 84 141 98 155 112 169 82 0.999 31.53 0.7 99 98 100 98 436 45.8 0.362 0.006 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6889 3108.2 3.3 scans 15% 204 m/z 1.4% 0.00759% 2433 1.1 119 72720 0.0599% 325328 325328 2564968 0-0 15: 204 205 217 597 337 73 598 129 103 206 338 599 361 191 243 0.859 31.68 1.6 86 87 80 89 597 15.3 1.645 0.014 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN A-TOCO~1-N1002 a-Tocopherol 1TMS STD 31.8331 3125.3 3.0 scans 85% 502 m/z 0.043% 0.704% 2447 0.7 770 2400019 30169563 29737169 1-0 17: 502 237 503 73 236 504 238 57 277 221 223 71 239 208 74 505 193 0.996 31.79 4.9 100 99 98 100 502 377.7 24.087 0.041 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1020 Cholesterol 31.9583 3140.2 3.0 scans 73% 329 m/z (207) 0.28% 0.430% 2459 0.8 575 361954 18418579 17911428 1-1 17: 329 129 368 353 458 95 330 107 145 121 328 119 105 369 93 159 91 0.996 31.87 10.8 95 95 95 98 458 86.6 2.265 0.090 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1044 Hydrocarbon 32.1min 32.1277 3160.3 3.7 scans 67% TIC 0.096% 0.396% 2475 0.8 587 1070526 0.940% 16996953 15666096 40251585 1-1 0.987 32.11 2.1 97 96 98 99 421 134.4 5.238 0.018 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1072 UNKnp_Ntb 32.1min 3158 32.2466 3174.4 >7 scans 41% TIC 0.32% 0.154% 2486 1.1 399 321226 1.75% 6601541 6601541 74936461 0-0 0.967 32.11 16.7 89 86 84 96 457 96.4 5.832 0.141 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NPE1E9~1-N1047 UNKnp_Ntb isomerA 32.71min 32.5549 3211.0 6.9 scans 44% TIC 0.32% 0.201% 2516 0.5 460 321086 1.37% 8634870 8634870 58664544 0-0 0.961 32.71 -18.9 91 89 73 95 457 124.7 7.350 -0.159 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NPE1E9~1-N1045 UNKnp_Ntb isomerA 32.56min 32.6454 3221.8 3.1 scans 17% 455 m/z 1.0% 0.0789% 2524 1.1 225 96005 0.171% 3382517 2795523 7322363 2-6 2: 455 456 0.752 32.57 9.3 80 85 45 89 457 40.6 0.000 0.077 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1004 Campesterol 32.8064 3240.9 3.7 scans 59% 343 m/z 0.16% 0.784% 2539 0.6 720 619586 33580728 33046172 4-0 18: 343 129 382 367 472 95 344 75 107 121 119 383 145 342 105 159 93 91 0.753 32.21 70.8 82 95 82 97 472 115.2 2.562 0.596 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1046 Stigmasterol 33.0189 3266.1 3.6 scans 84% 83 m/z 0.072% 1.97% 2560 0.4 1139 1437660 2.25% 84719264 78955899 96346878 1-4 19: 83 129 255 55 394 69 81 484 133 159 145 119 75 107 105 351 93 355 95 0.989 32.98 4.3 96 94 97 97 665 0.0 0.000 0.037 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1052 Hydrocarbon 33.09min 33.1168 3277.8 3.4 scans 71% 57 m/z (369) 0.062% 0.751% 2569 0.6 733 1656532 1.61% 32185915 32185915 68941544 0-0 19: 57 71 85 55 69 83 113 97 56 70 127 111 141 84 98 155 112 125 82 0.996 33.10 2.4 86 83 97 96 515 16.9 0.053 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN N479_R~1-N1030 UNKnp_Disaccharide/Steroid bound compound 33.4min 33.3556 3306.1 3.5 scans 37% 99 m/z 0.72% 0.130% 2592 0.7 309 143379 5573279 5323721 2-1 13: 99 189 437 361 529 199 438 530 173 287 439 200 451 0.905 33.38 -2.8 95 95 91 97 529 53.0 2.945 -0.023 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN WTF2-N1034 b-Sitosterol 33.4987 3323.1 7.6 scans 71% TIC 0.18% 0.687% 2605 0.7 720 570266 2.21% 29422336 28396486 94634045 1-0 0.993 32.88 73.8 82 94 92 96 486 109.2 2.302 0.622 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN N479_R~1-N1032 UNKnp_Disaccharide/Steroid bound compound 33.75min 33.5387 3327.9 4.6 scans 73% 99 m/z (357) 0.12% 0.908% 2609 0.6 679 839577 1.83% 38886566 36998856 78362128 1-1 14: 99 217 485 361 169 218 362 103 271 363 319 230 219 100 0.997 33.75 -25.6 92 94 93 95 485 180.7 7.078 -0.215 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1054 Steroid 33.58min 3333 33.6039 3335.6 3.5 scans 35% 386 m/z (99) 1.1% 0.156% 2615 1.0 325 89009 0.176% 6717894 6249110 7536467 1-3 6: 386 296 387 281 282 388 0.968 33.58 2.3 86 86 91 96 505 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1024 UNKnp_Ntb alcohol-Si-alcohol 33.9006 3370.9 3.4 scans 10% 441 m/z 0.77% 0.0245% 2643 0.9 130 133786 1052979 1007062 1-2 5: 441 442 308 646 443 0.771 33.80 12.5 94 95 70 96 646 26.1 4.000 0.106 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN QC1-N1056 UNKnp_Disaccharide/Steroid bound compound 34.2min 34.2363 3410.7 3.7 scans 73% 99 m/z 0.083% 0.661% 2675 0.8 682 1238647 28321758 25917609 3-1 20: 99 217 499 361 71 169 73 500 362 218 109 103 147 100 383 129 271 319 363 257 0.994 34.22 2.0 97 95 95 99 499 177.5 6.780 0.016 G:\GCMS data\Nicotiana Panel nonpolar repeated\TAB_REP6.FIN NP_TAB~1-N1026 UNKnp_Ntb 34.5min 3439 34.5930 3453.1 3.9 scans 24% 596 m/z 0.27% 0.142% 2709 0.9 301 378159 6092785 5988009 1-1 16: 596 597 598 331 316 302 599 315 356 318 332 300 342 330 357 600 0.850 34.47 14.4 96 95 86 99 596 149.9 24.748 0.121